 Entering Gaussian System, Link 0=g16
 Input=36d_RhEn3-ob3_STD_B3LYPDBJ-augccpVDZr.in
 Output=36d_RhEn3-ob3_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/36d_RhEn3-ob3_STD/Gau-40770.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/36d_RhEn3-ob3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     40772.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36d_RhEn3-ob3_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:22:28 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36d_RhEn3-ob3_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.888503000000     -2.283626000000      0.346441000000
  C                                                -2.701393000000     -1.217376000000     -0.346813000000
  N                                                -1.764324000000     -0.337100000000     -1.129343000000
  Rh                                                0.000137000000     -0.000290000000      0.000013000000
  N                                                -0.791312000000     -1.612960000000      1.128524000000
  N                                                 1.791723000000      0.121006000000      1.129851000000
  C                                                 2.921909000000     -0.491806000000      0.347289000000
  C                                                 2.406559000000     -1.729107000000     -0.346832000000
  N                                                 1.175543000000     -1.358466000000     -1.129476000000
  N                                                 0.590741000000      1.696308000000     -1.128278000000
  C                                                 0.295422000000      2.947860000000     -0.346258000000
  C                                                -1.034809000000      2.775943000000      0.346020000000
  N                                                -1.002175000000      1.490800000000      1.128835000000
  H                                                 2.129415000000     -2.500430000000      0.372568000000
  H                                                 3.162755000000     -2.156588000000     -1.006173000000
  H                                                 3.274326000000      0.248135000000     -0.372189000000
  H                                                 3.757967000000     -0.727492000000      1.006648000000
  H                                                 1.100920000000      3.093573000000      0.374343000000
  H                                                 0.288614000000      3.816420000000     -1.005696000000
  H                                                -1.850762000000      2.711245000000     -0.374670000000
  H                                                -1.249471000000      3.617991000000      1.004939000000
  H                                                -3.229730000000     -0.591602000000      0.373293000000
  H                                                -3.450537000000     -1.657262000000     -1.006036000000
  H                                                -1.425273000000     -2.959234000000     -0.373430000000
  H                                                -2.511055000000     -2.889142000000      1.006049000000
  H                                                -0.108747000000     -2.318114000000      1.404588000000
  H                                                -1.178462000000     -1.274245000000      2.009660000000
  H                                                -2.263642000000      0.507788000000     -1.405377000000
  H                                                -1.540523000000     -0.800167000000     -2.010547000000
  H                                                -1.954196000000      1.251545000000      1.404096000000
  H                                                -0.516258000000      1.657364000000      2.010418000000
  H                                                 1.572245000000      1.706926000000     -1.403733000000
  H                                                 0.078341000000      1.733532000000     -2.009807000000
  H                                                 2.059772000000      1.064893000000      1.406565000000
  H                                                 1.692659000000     -0.384485000000      2.010616000000
  H                                                 0.694313000000     -2.213552000000     -1.406187000000
  H                                                 1.464666000000     -0.932467000000     -2.010390000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888503   -2.283626    0.346441
      2          6           0       -2.701393   -1.217376   -0.346813
      3          7           0       -1.764324   -0.337100   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791312   -1.612960    1.128524
      6          7           0        1.791723    0.121006    1.129851
      7          6           0        2.921909   -0.491806    0.347289
      8          6           0        2.406559   -1.729107   -0.346832
      9          7           0        1.175543   -1.358466   -1.129476
     10          7           0        0.590741    1.696308   -1.128278
     11          6           0        0.295422    2.947860   -0.346258
     12          6           0       -1.034809    2.775943    0.346020
     13          7           0       -1.002175    1.490800    1.128835
     14          1           0        2.129415   -2.500430    0.372568
     15          1           0        3.162755   -2.156588   -1.006173
     16          1           0        3.274326    0.248135   -0.372189
     17          1           0        3.757967   -0.727492    1.006648
     18          1           0        1.100920    3.093573    0.374343
     19          1           0        0.288614    3.816420   -1.005696
     20          1           0       -1.850762    2.711245   -0.374670
     21          1           0       -1.249471    3.617991    1.004939
     22          1           0       -3.229730   -0.591602    0.373293
     23          1           0       -3.450537   -1.657262   -1.006036
     24          1           0       -1.425273   -2.959234   -0.373430
     25          1           0       -2.511055   -2.889142    1.006049
     26          1           0       -0.108747   -2.318114    1.404588
     27          1           0       -1.178462   -1.274245    2.009660
     28          1           0       -2.263642    0.507788   -1.405377
     29          1           0       -1.540523   -0.800167   -2.010547
     30          1           0       -1.954196    1.251545    1.404096
     31          1           0       -0.516258    1.657364    2.010418
     32          1           0        1.572245    1.706926   -1.403733
     33          1           0        0.078341    1.733532   -2.009807
     34          1           0        2.059772    1.064893    1.406565
     35          1           0        1.692659   -0.384485    2.010616
     36          1           0        0.694313   -2.213552   -1.406187
     37          1           0        1.464666   -0.932467   -2.010390
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509397   0.000000
     3  N    2.445879   1.505104   0.000000
     4  Rh   2.983387   2.983262   2.121841   0.000000
     5  N    1.505083   2.445714   2.769934   2.121470   0.000000
     6  N    4.465428   4.915272   4.237840   2.121562   3.111062
     7  C    5.133292   5.712246   4.915807   2.983109   3.956681
     8  C    4.385850   5.133521   4.466125   2.983283   3.523712
     9  N    3.524575   3.957664   3.112235   2.121784   3.005304
    10  N    4.915417   4.465242   3.111443   2.121391   4.237273
    11  C    5.711200   5.131286   3.955596   2.983066   4.914982
    12  C    5.131085   4.382250   3.521353   2.983002   4.464759
    13  N    3.955251   3.521235   3.003574   2.121843   3.110915
    14  H    4.023848   5.049796   4.700738   3.305045   3.144792
    15  H    5.230766   5.975375   5.253743   3.957800   4.526269
    16  H    5.794916   6.152852   5.128721   3.304628   4.716485
    17  H    5.894069   6.617792   5.933849   3.957704   4.636254
    18  H    6.152373   5.793266   4.715953   3.305122   5.128429
    19  H    6.616545   5.891805   4.634822   3.957518   5.932900
    20  H    5.046797   4.019753   3.141562   3.304336   4.699019
    21  H    5.972526   5.226479   4.523602   3.957696   5.252431
    22  H    2.159295   1.090544   2.114261   3.304698   2.749441
    23  H    2.159045   1.090546   2.145075   3.957884   3.410247
    24  H    1.090524   2.159458   2.749899   3.305541   2.114291
    25  H    1.090552   2.158996   3.410341   3.957734   2.145031
    26  H    2.070844   3.316752   3.617480   2.712378   1.019484
    27  H    2.071064   2.806335   3.327884   2.655323   1.020301
    28  H    3.316864   2.070839   1.019485   2.712556   3.617455
    29  H    2.806623   2.071157   1.020313   2.656273   3.328020
    30  H    3.690580   3.117620   2.996357   2.712556   3.103809
    31  H    4.492580   4.312248   3.923475   2.656353   3.398295
    32  H    5.564566   5.285130   3.922502   2.712308   4.797955
    33  H    5.055486   4.381818   2.908290   2.655491   4.669521
    34  H    5.284441   5.563432   4.797929   2.712029   3.921337
    35  H    4.381887   5.055578   4.670366   2.656080   2.908152
    36  H    3.122107   3.693976   3.105255   2.712528   2.998758
    37  H    4.315556   4.494965   3.399571   2.656223   3.924957
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.505079   0.000000
     8  C    2.445718   1.509405   0.000000
     9  N    2.770031   2.445757   1.505094   0.000000
    10  N    3.003844   3.521290   3.954911   3.110247   0.000000
    11  C    3.522629   4.383006   5.131366   4.464581   1.505042
    12  C    3.956307   5.131647   5.711264   4.914884   2.445727
    13  N    3.111624   4.465420   4.915777   4.238011   2.770230
    14  H    2.749444   2.159457   1.090543   2.114259   4.715153
    15  H    3.410244   2.159020   1.090552   2.145044   4.634110
    16  H    2.114331   1.090577   2.159432   2.749462   3.141736
    17  H    2.145051   1.090548   2.159038   3.410288   4.523719
    18  H    3.143908   4.021402   5.048072   4.699754   2.114356
    19  H    4.525039   5.227392   5.972660   5.251801   2.145037
    20  H    4.715996   5.793026   6.151608   5.127456   2.749356
    21  H    4.636094   5.892652   6.617046   5.933089   3.410258
    22  H    5.127883   6.152503   5.794847   4.717290   4.699494
    23  H    5.933426   6.617994   5.894513   4.637363   5.252933
    24  H    4.700723   5.050310   4.024532   3.146158   5.129150
    25  H    5.252639   5.974804   5.230573   4.527079   5.933198
    26  H    3.104283   3.692988   3.121084   2.998634   4.797945
    27  H    3.397468   4.493187   4.314201   3.924616   4.669145
    28  H    4.798225   5.564258   5.285357   3.922629   3.104330
    29  H    4.670602   5.056459   4.382959   2.909467   3.398981
    30  H    3.922402   5.285122   5.564730   4.798584   3.617656
    31  H    2.909050   4.382456   5.056449   4.670798   3.328419
    32  H    2.997059   3.118027   3.690453   3.103098   1.019479
    33  H    3.923439   4.312066   4.491765   3.396953   1.020310
    34  H    1.019482   2.070907   3.316790   3.617462   2.997026
    35  H    1.020334   2.071046   2.806283   3.328096   3.923847
    36  H    3.617452   3.316816   2.070919   1.019472   3.921092
    37  H    3.328346   2.806491   2.071044   1.020332   2.907288
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509410   0.000000
    13  N    2.445952   1.505143   0.000000
    14  H    5.793454   6.152490   5.129202   0.000000
    15  H    5.891729   6.616482   5.933662   1.756971   0.000000
    16  H    4.020330   5.047205   4.699548   3.069217   2.489393
    17  H    5.227598   5.973373   5.253066   2.489488   2.539299
    18  H    1.090562   2.159405   2.749754   5.687765   5.806994
    19  H    1.090551   2.158976   3.410406   6.722407   6.628538
    20  H    2.159375   1.090577   2.114264   6.600131   7.016406
    21  H    2.159051   1.090550   2.145098   7.017965   7.540429
    22  H    5.047003   4.019799   3.141535   5.688942   6.724282
    23  H    5.972827   5.226577   4.523543   5.809247   6.632116
    24  H    6.152665   5.793300   4.715784   3.660986   4.700490
    25  H    6.616316   5.891361   4.634187   4.699612   6.064470
    26  H    5.564108   5.284655   3.921999   2.471371   4.067012
    27  H    5.054587   4.380908   2.907302   3.889171   5.359099
    28  H    3.691137   3.118004   2.996638   5.613325   6.058387
    29  H    4.493135   4.312507   3.923527   4.694526   4.996946
    30  H    3.316927   2.070890   1.019488   5.640678   6.603632
    31  H    2.806800   2.071312   1.020317   5.193206   6.097638
    32  H    2.070857   3.316800   3.617769   4.600818   4.196965
    33  H    2.071017   2.806358   3.328289   5.273429   5.064970
    34  H    3.119437   3.691731   3.103877   3.712887   4.173226
    35  H    4.314122   4.494248   3.399465   2.711306   3.795069
    36  H    5.284197   5.563735   4.798607   2.303429   2.501292
    37  H    4.381028   5.054933   4.670360   2.928974   2.321730
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756971   0.000000
    18  H    3.657529   4.696834   0.000000
    19  H    4.695579   6.060782   1.756945   0.000000
    20  H    5.686250   6.722410   3.069140   2.489284   0.000000
    21  H    5.806647   6.630057   2.489378   2.539239   1.757003
    22  H    6.600276   7.017657   5.686391   5.806119   3.656474
    23  H    7.018268   7.541744   6.722473   6.628910   4.694865
    24  H    5.689767   5.809584   6.601310   7.017596   5.686420
    25  H    6.724037   6.631242   7.017000   7.539882   5.805748
    26  H    4.603016   4.199989   5.640129   6.603020   5.612025
    27  H    5.274293   5.066883   5.191115   6.095864   4.692670
    28  H    5.639502   6.603299   4.601518   4.197714   2.467397
    29  H    5.192873   6.097765   5.275048   5.066394   3.886175
    30  H    5.612438   6.058330   3.713111   4.173234   2.303352
    31  H    4.693748   4.996408   2.711955   3.795561   2.929200
    32  H    2.467637   4.063706   2.303582   2.501221   3.712762
    33  H    3.886196   5.356798   2.929087   2.321826   2.711279
    34  H    2.303519   2.501288   2.469903   4.065330   4.601690
    35  H    2.929102   2.321875   3.889014   5.358832   5.275317
    36  H    3.712886   4.173263   5.612592   6.056860   5.638711
    37  H    2.711530   3.795229   4.693427   4.994441   5.190788
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.694792   0.000000
    23  H    6.059456   1.756968   0.000000
    24  H    6.722403   3.069095   2.489381   0.000000
    25  H    6.628301   2.489089   2.539417   1.756928   0.000000
    26  H    6.057913   3.712809   4.173176   2.303394   2.501198
    27  H    4.994845   2.711346   3.795188   2.929031   2.321838
    28  H    4.063438   2.303400   2.501127   3.713222   4.173167
    29  H    5.357050   2.929098   2.322027   2.712011   3.795471
    30  H    2.501206   2.467130   4.063118   4.601089   4.196882
    31  H    2.322207   3.885995   5.356840   5.274658   5.065441
    32  H    4.173242   5.612488   6.058404   5.640894   6.603350
    33  H    3.795124   4.693479   4.995800   5.192363   6.096677
    34  H    4.198893   5.638303   6.602596   5.613156   6.057001
    35  H    5.068267   5.191689   6.096935   4.694093   4.995365
    36  H    6.602933   4.603845   4.201114   2.472908   4.068131
    37  H    6.096345   5.275935   5.068853   3.890909   5.360395
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.612472   0.000000
    28  H    4.530474   4.001966   0.000000
    29  H    4.002161   4.064222   1.612414   0.000000
    30  H    4.018476   2.710735   2.922682   4.005051   0.000000
    31  H    4.041970   3.005469   4.005313   4.822524   1.612446
    32  H    5.187808   5.301417   4.018951   4.042655   4.530680
    33  H    5.301786   5.175171   2.711580   3.006718   4.002281
    34  H    4.018360   4.039981   5.187417   5.302568   4.018306
    35  H    2.711320   3.005829   5.302592   5.176486   4.042773
    36  H    2.925114   4.007193   4.019352   2.712453   5.188370
    37  H    4.007209   4.823250   4.042358   3.008100   5.302569
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.002590   0.000000
    33  H    4.064672   1.612384   0.000000
    34  H    2.711382   2.923639   4.005589   0.000000
    35  H    3.008066   4.005781   4.822429   1.612559   0.000000
    36  H    5.303080   4.017576   4.040204   4.530370   4.002090
    37  H    5.176696   2.710351   3.004904   4.002397   4.064573
                   36         37
    36  H    0.000000
    37  H    1.612353   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.30D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888523   -2.283610    0.346441
      2          6           0       -2.701404   -1.217353   -0.346813
      3          7           0       -1.764327   -0.337085   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791326   -1.612953    1.128524
      6          7           0        1.791724    0.120990    1.129851
      7          6           0        2.921905   -0.491832    0.347289
      8          6           0        2.406544   -1.729128   -0.346832
      9          7           0        1.175531   -1.358476   -1.129476
     10          7           0        0.590756    1.696303   -1.128278
     11          6           0        0.295448    2.947857   -0.346258
     12          6           0       -1.034785    2.775952    0.346020
     13          7           0       -1.002162    1.490809    1.128835
     14          1           0        2.129393   -2.500449    0.372568
     15          1           0        3.162736   -2.156616   -1.006173
     16          1           0        3.274328    0.248106   -0.372189
     17          1           0        3.757961   -0.727525    1.006648
     18          1           0        1.100947    3.093563    0.374343
     19          1           0        0.288647    3.816417   -1.005696
     20          1           0       -1.850738    2.711261   -0.374670
     21          1           0       -1.249439    3.618002    1.004939
     22          1           0       -3.229735   -0.591574    0.373293
     23          1           0       -3.450551   -1.657232   -1.006036
     24          1           0       -1.425299   -2.959222   -0.373430
     25          1           0       -2.511080   -2.889120    1.006049
     26          1           0       -0.108767   -2.318113    1.404588
     27          1           0       -1.178473   -1.274235    2.009660
     28          1           0       -2.263637    0.507808   -1.405377
     29          1           0       -1.540530   -0.800154   -2.010547
     30          1           0       -1.954185    1.251562    1.404096
     31          1           0       -0.516243    1.657368    2.010418
     32          1           0        1.572260    1.706912   -1.403733
     33          1           0        0.078356    1.733531   -2.009807
     34          1           0        2.059781    1.064875    1.406565
     35          1           0        1.692656   -0.384500    2.010616
     36          1           0        0.694294   -2.213558   -1.406187
     37          1           0        1.464658   -0.932480   -2.010390
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7090961           0.7085638           0.4562113
 Leave Link  202 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.5355266150 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0808125561 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.4547140589 Hartrees.
 Leave Link  301 at Thu Jul  8 19:22:32 2021, MaxMem= 10737418240 cpu:              40.7 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29876 LenP2D=  115070.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.15D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul  8 19:22:34 2021, MaxMem= 10737418240 cpu:              31.1 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:22:35 2021, MaxMem= 10737418240 cpu:               3.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36d_RhEn3-ob3_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:22:37 2021, MaxMem= 10737418240 cpu:              24.1 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.123282613625    
 DIIS: error= 6.32D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.123282613625     IErMin= 1 ErrMin= 6.32D-02
 ErrMax= 6.32D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.69D-02 BMatP= 9.69D-02
 IDIUse=3 WtCom= 3.68D-01 WtEn= 6.32D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.230 Goal=   None    Shift=    0.000
 GapD=    0.230 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=3.87D-02 MaxDP=1.48D+01              OVMax= 1.17D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.09D-03    CP:  1.26D+00
 E= -681.126453876761     Delta-E=       -0.003171263136 Rises=F Damp=T
 DIIS: error= 4.75D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.126453876761     IErMin= 2 ErrMin= 4.75D-02
 ErrMax= 4.75D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.45D-02 BMatP= 9.69D-02
 IDIUse=3 WtCom= 5.25D-01 WtEn= 4.75D-01
 Coeff-Com: -0.293D+01 0.393D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.154D+01 0.254D+01
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=3.23D-02 MaxDP=1.25D+01 DE=-3.17D-03 OVMax= 1.59D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.52D-03    CP:  2.15D+00  3.00D+00
 E= -681.134244704664     Delta-E=       -0.007790827903 Rises=F Damp=F
 DIIS: error= 2.20D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -681.134244704664     IErMin= 3 ErrMin= 2.20D-03
 ErrMax= 2.20D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-03 BMatP= 5.45D-02
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.20D-02
 Coeff-Com: -0.169D+01 0.225D+01 0.440D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.165D+01 0.220D+01 0.453D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.36D-03 MaxDP=5.39D-01 DE=-7.79D-03 OVMax= 1.19D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.24D-04    CP:  2.11D+00  3.00D+00  9.01D-01
 E= -681.136003976496     Delta-E=       -0.001759271832 Rises=F Damp=F
 DIIS: error= 3.95D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.136003976496     IErMin= 4 ErrMin= 3.95D-04
 ErrMax= 3.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.01D-05 BMatP= 2.48D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.95D-03
 Coeff-Com: -0.560D+00 0.745D+00 0.236D+00 0.579D+00
 Coeff-En:   0.000D+00 0.000D+00 0.187D-01 0.981D+00
 Coeff:     -0.558D+00 0.742D+00 0.235D+00 0.581D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.55D-04 MaxDP=1.41D-01 DE=-1.76D-03 OVMax= 1.71D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.89D-05    CP:  2.12D+00  3.00D+00  9.27D-01  8.27D-01
 E= -681.136061511558     Delta-E=       -0.000057535062 Rises=F Damp=F
 DIIS: error= 3.34D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.136061511558     IErMin= 5 ErrMin= 3.34D-05
 ErrMax= 3.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-06 BMatP= 7.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D+00 0.141D+00 0.751D-01 0.256D+00 0.634D+00
 Coeff:     -0.106D+00 0.141D+00 0.751D-01 0.256D+00 0.634D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.99D-05 MaxDP=1.98D-02 DE=-5.75D-05 OVMax= 1.54D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.53D-06    CP:  2.13D+00  3.00D+00  9.31D-01  8.05D-01  8.84D-01
 E= -681.136062590452     Delta-E=       -0.000001078895 Rises=F Damp=F
 DIIS: error= 6.67D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.136062590452     IErMin= 6 ErrMin= 6.67D-06
 ErrMax= 6.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.38D-08 BMatP= 1.24D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.531D-02-0.716D-02 0.104D-01 0.584D-01 0.250D+00 0.683D+00
 Coeff:      0.531D-02-0.716D-02 0.104D-01 0.584D-01 0.250D+00 0.683D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=7.33D-06 MaxDP=2.81D-03 DE=-1.08D-06 OVMax= 2.65D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.46D-06    CP:  2.13D+00  3.00D+00  9.32D-01  8.03D-01  8.94D-01
                    CP:  9.97D-01
 E= -681.136062632219     Delta-E=       -0.000000041767 Rises=F Damp=F
 DIIS: error= 2.04D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.136062632219     IErMin= 7 ErrMin= 2.04D-06
 ErrMax= 2.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-09 BMatP= 5.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.595D-02-0.795D-02 0.948D-03 0.134D-01 0.759D-01 0.306D+00
 Coeff-Com:  0.605D+00
 Coeff:      0.595D-02-0.795D-02 0.948D-03 0.134D-01 0.759D-01 0.306D+00
 Coeff:      0.605D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.00D-06 MaxDP=1.21D-03 DE=-4.18D-08 OVMax= 1.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.54D-07    CP:  2.13D+00  3.00D+00  9.32D-01  8.05D-01  8.96D-01
                    CP:  9.83D-01  8.45D-01
 E= -681.136062636112     Delta-E=       -0.000000003893 Rises=F Damp=F
 DIIS: error= 6.95D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.136062636112     IErMin= 8 ErrMin= 6.95D-07
 ErrMax= 6.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.08D-10 BMatP= 5.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-02-0.304D-02-0.648D-03 0.394D-03 0.103D-01 0.803D-01
 Coeff-Com:  0.325D+00 0.585D+00
 Coeff:      0.228D-02-0.304D-02-0.648D-03 0.394D-03 0.103D-01 0.803D-01
 Coeff:      0.325D+00 0.585D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.67D-07 MaxDP=4.96D-05 DE=-3.89D-09 OVMax= 2.94D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.87D-08    CP:  2.13D+00  3.00D+00  9.32D-01  8.05D-01  8.96D-01
                    CP:  9.87D-01  8.55D-01  7.75D-01
 E= -681.136062636919     Delta-E=       -0.000000000807 Rises=F Damp=F
 DIIS: error= 1.28D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -681.136062636919     IErMin= 9 ErrMin= 1.28D-07
 ErrMax= 1.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.33D-12 BMatP= 6.08D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.177D-03-0.235D-03-0.122D-03-0.470D-03-0.650D-03 0.440D-02
 Coeff-Com:  0.431D-01 0.106D+00 0.847D+00
 Coeff:      0.177D-03-0.235D-03-0.122D-03-0.470D-03-0.650D-03 0.440D-02
 Coeff:      0.431D-01 0.106D+00 0.847D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.42D-07 MaxDP=9.64D-05 DE=-8.07D-10 OVMax= 4.11D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.37D-08    CP:  2.13D+00  3.00D+00  9.32D-01  8.05D-01  8.96D-01
                    CP:  9.88D-01  8.61D-01  7.73D-01  9.14D-01
 E= -681.136062637019     Delta-E=       -0.000000000101 Rises=F Damp=F
 DIIS: error= 2.87D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -681.136062637019     IErMin=10 ErrMin= 2.87D-08
 ErrMax= 2.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.84D-13 BMatP= 6.33D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.495D-05-0.625D-05-0.273D-04-0.216D-03-0.623D-03-0.760D-03
 Coeff-Com:  0.651D-02 0.219D-01 0.282D+00 0.691D+00
 Coeff:      0.495D-05-0.625D-05-0.273D-04-0.216D-03-0.623D-03-0.760D-03
 Coeff:      0.651D-02 0.219D-01 0.282D+00 0.691D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.22D-08 MaxDP=1.27D-05 DE=-1.01D-10 OVMax= 1.76D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.88D-09    CP:  2.13D+00  3.00D+00  9.32D-01  8.05D-01  8.96D-01
                    CP:  9.88D-01  8.61D-01  7.73D-01  9.22D-01  1.01D+00
 E= -681.136062636782     Delta-E=        0.000000000237 Rises=F Damp=F
 DIIS: error= 9.43D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -681.136062637019     IErMin=11 ErrMin= 9.43D-09
 ErrMax= 9.43D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-13 BMatP= 4.84D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.217D-04 0.291D-04-0.184D-05-0.908D-04-0.368D-03-0.118D-02
 Coeff-Com: -0.162D-02 0.259D-03 0.754D-01 0.480D+00 0.448D+00
 Coeff:     -0.217D-04 0.291D-04-0.184D-05-0.908D-04-0.368D-03-0.118D-02
 Coeff:     -0.162D-02 0.259D-03 0.754D-01 0.480D+00 0.448D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=8.59D-09 MaxDP=3.36D-06 DE= 2.37D-10 OVMax= 9.09D-08

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.50D-09    CP:  2.13D+00  3.00D+00  9.32D-01  8.05D-01  8.96D-01
                    CP:  9.88D-01  8.62D-01  7.73D-01  9.24D-01  1.04D+00
                    CP:  8.53D-01
 E= -681.136062636964     Delta-E=       -0.000000000181 Rises=F Damp=F
 DIIS: error= 1.29D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -681.136062637019     IErMin=12 ErrMin= 1.29D-09
 ErrMax= 1.29D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-15 BMatP= 1.64D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.339D-05 0.451D-05 0.136D-05-0.247D-05-0.249D-04-0.985D-04
 Coeff-Com: -0.576D-03-0.987D-03-0.570D-02 0.332D-01 0.726D-01 0.902D+00
 Coeff:     -0.339D-05 0.451D-05 0.136D-05-0.247D-05-0.249D-04-0.985D-04
 Coeff:     -0.576D-03-0.987D-03-0.570D-02 0.332D-01 0.726D-01 0.902D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.53D-09 MaxDP=5.95D-07 DE=-1.81D-10 OVMax= 6.45D-09

 SCF Done:  E(RB3LYP) =  -681.136062637     A.U. after   12 cycles
            NFock= 12  Conv=0.15D-08     -V/T= 2.1210
 KE= 6.075982614562D+02 PE=-3.905148376783D+03 EE= 1.417959338631D+03
 Leave Link  502 at Thu Jul  8 19:32:56 2021, MaxMem= 10737418240 cpu:            9893.6 elap:             619.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.32633516D+03

 Leave Link  801 at Thu Jul  8 19:32:57 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 3.58D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 2.57D-01 1.04D-01.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D-01 7.15D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 1.94D-02 1.64D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 2.52D-03 9.38D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 6.25D-04 7.53D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 2.33D-04 4.32D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 4.57D-05 1.25D-03.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 2.33D-06 4.62D-04.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 1.18D-07 7.07D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 5.42D-09 1.41D-05.
      4 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 1.43D-10 2.07D-06.
      1 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 3.61D-12 5.50D-07.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 5.29D-14 4.13D-08.
      1 vectors produced by pass 14 Test12= 4.72D-13 8.33D-09 XBig12= 1.74D-15 8.56D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.158668D+03
      2 -0.344124D-02  0.158614D+03
      3 -0.515368D-04  0.377242D-02  0.122300D+03
 Isotropic polarizability for W=    0.085645      146.53 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.344690D+02 -0.851238D+02 -0.775073D-02
      2  -0.345008D+02  0.851410D+02  0.981713D-02
      3   0.317850D-01 -0.171618D-01 -0.206641D-02
      4  -0.850946D+02 -0.345249D+02  0.420284D-02
      5  -0.110523D-01  0.634933D+01  0.165765D-01
      6  -0.633570D+01  0.880601D-03 -0.129691D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.367711D+01 -0.275463D-01 -0.147874D-01
      2   0.643863D-03  0.364581D+01 -0.433420D-02
      3   0.449569D-01  0.469839D-02 -0.628937D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.634512D+01 -0.893653D-02 -0.419272D-02
      2   0.330161D-02  0.633990D+01 -0.152085D-01
      3   0.291559D-01  0.240996D-01 -0.126850D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.264502D+00  0.602125D-02 -0.442197D-02
      2   0.602125D-02  0.278844D+00  0.102034D-02
      3  -0.442197D-02  0.102034D-02  0.490206D+00
 OR G Eigenvalues:     0.2622     0.2810     0.4903  Iso=    -0.3445
 Eigenvectors:
   (1)   0.939655  -0.341552   0.019754
   (2)   0.341569   0.939853   0.002636
   (3)  -0.019466   0.004270   0.999801
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3445 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      -57.70 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.92D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.40D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 4.87D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 9.56D-03 1.57D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 3.80D-04 1.96D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 3.31D-06 2.50D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 5.67D-08 3.34D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 5.28D-10 2.99D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 3.66D-12 2.71D-07.
      9 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 1.90D-14 1.74D-08.
      2 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 3.62D-15 6.16D-09.
      1 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 5.09D-16 3.34D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   252 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.69D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.69D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.75D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158668D+03 -0.344124D-02 -0.515368D-04
      2  -0.344124D-02  0.158614D+03  0.377242D-02
      3  -0.515368D-04  0.377242D-02  0.122300D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.367711D+01 -0.275463D-01 -0.147874D-01
      2   0.643863D-03  0.364581D+01 -0.433420D-02
      3   0.449569D-01  0.469839D-02 -0.628937D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.344690D+02 -0.851238D+02 -0.775073D-02
      2  -0.345008D+02  0.851410D+02  0.981713D-02
      3   0.317850D-01 -0.171618D-01 -0.206641D-02
      4  -0.850946D+02 -0.345249D+02  0.420284D-02
      5  -0.110523D-01  0.634933D+01  0.165765D-01
      6  -0.633570D+01  0.880601D-03 -0.129691D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.930153D+00  0.235219D+01 -0.180018D+01  0.846425D+00  0.112594D+01
      2   0.235219D+01  0.260955D+01 -0.367988D+01  0.112594D+01  0.361824D+01
      3  -0.180018D+01 -0.367988D+01 -0.115552D+00 -0.365845D+01 -0.613130D+00
                 6             7             8             9            10 
      1  -0.365845D+01 -0.205434D+01 -0.489175D+01  0.401318D+00  0.484132D+01
      2  -0.613130D+00 -0.489175D+01 -0.141460D+01  0.288304D+01  0.683017D+00
      3   0.180041D+01  0.401318D+00  0.288304D+01 -0.327900D+00  0.257306D+01
                11            12            13            14            15 
      1   0.683017D+00  0.257306D+01  0.249423D+01  0.146862D+01  0.346262D+01
      2   0.416262D+00  0.345043D+01  0.146862D+01 -0.270212D+00 -0.159579D+00
      3   0.345043D+01  0.171253D+01  0.346262D+01 -0.159579D+00 -0.585389D+00
                16            17            18            19            20 
      1   0.395431D+01  0.436797D+01  0.289053D+01 -0.101961D+02 -0.215791D+01
      2   0.436797D+01 -0.494385D+00 -0.376962D+00 -0.215791D+01  0.373140D+00
      3   0.289053D+01 -0.376962D+00  0.325943D+00 -0.436201D+01 -0.242044D+01
                21            22            23            24            25 
      1  -0.436201D+01 -0.475295D+01 -0.696808D+00 -0.298978D+01 -0.299273D+01
      2  -0.242044D+01 -0.696808D+00 -0.153737D+01  0.512517D-01 -0.145536D+01
      3  -0.179621D+01 -0.298978D+01  0.512517D-01  0.285401D+00 -0.209911D+01
                26            27            28            29            30 
      1  -0.145536D+01 -0.209911D+01 -0.677160D+00  0.170359D+01  0.870260D-02
      2   0.121369D+00  0.102136D+01  0.170359D+01  0.706664D+00 -0.171669D+01
      3   0.102136D+01  0.900274D+00  0.870260D-02 -0.171669D+01 -0.119617D-02
                31            32            33            34            35 
      1   0.170849D+01  0.712510D+00  0.173182D+01 -0.218217D-01 -0.228072D-02
      2   0.712510D+00 -0.172319D+01 -0.310370D-02 -0.228072D-02 -0.171285D-01
      3   0.173182D+01 -0.310370D-02 -0.487578D-02 -0.835281D-03 -0.325120D-03
                36            37            38            39            40 
      1  -0.835281D-03 -0.241609D+01 -0.256021D+01  0.163391D+01 -0.860490D+00
      2  -0.325120D-03 -0.256021D+01 -0.622739D+01  0.373024D+01 -0.401126D+01
      3   0.832508D-02  0.163391D+01  0.373024D+01 -0.196652D+00  0.316447D+01
                41            42            43            44            45 
      1  -0.401126D+01  0.316447D+01  0.863329D+00  0.205727D+01  0.428106D+00
      2  -0.694969D+01  0.266414D+01  0.205727D+01  0.204696D+01 -0.228943D+01
      3   0.266414D+01 -0.179937D+01  0.428106D+00 -0.228943D+01 -0.901282D+00
                46            47            48            49            50 
      1   0.114555D+02  0.738331D+00  0.540360D+01 -0.201469D+01 -0.927975D-03
      2   0.738331D+00 -0.370972D+00 -0.991763D+00 -0.927975D-03 -0.153337D+01
      3   0.540360D+01 -0.991763D+00  0.165828D+01 -0.155206D+01 -0.110043D+01
                51            52            53            54            55 
      1  -0.155206D+01  0.352205D+01 -0.507669D+00  0.177093D+01 -0.549588D+01
      2  -0.110043D+01 -0.507669D+00 -0.633394D+00  0.151999D+01 -0.324807D+00
      3   0.735796D+00  0.177093D+01  0.151999D+01 -0.899431D+00 -0.409296D+01
                56            57            58            59            60 
      1  -0.324807D+00 -0.409296D+01  0.170926D+01 -0.712319D+00  0.234812D+01
      2  -0.156260D+00  0.233308D+01 -0.712319D+00 -0.880665D+00  0.168412D+01
      3   0.233308D+01 -0.150197D+01  0.234812D+01  0.168412D+01 -0.999122D+00
                61            62            63            64            65 
      1  -0.581286D+01  0.271242D+01 -0.269991D+01 -0.253833D+01  0.280269D+01
      2   0.271242D+01  0.235552D+01 -0.109187D+01  0.280269D+01 -0.202923D+01
      3  -0.269991D+01 -0.109187D+01 -0.330781D+00  0.352147D+01 -0.291499D+01
                66            67            68            69            70 
      1   0.352147D+01  0.975231D+00 -0.981819D+00 -0.289800D+01  0.440382D+01
      2  -0.291499D+01 -0.981819D+00  0.245859D+01 -0.111330D+01 -0.410573D+01
      3  -0.351330D+00 -0.289800D+01 -0.111330D+01  0.176958D+01 -0.112521D+01
                71            72            73            74            75 
      1  -0.410573D+01 -0.112521D+01  0.461205D+01 -0.433405D+01 -0.339625D+01
      2  -0.950729D+00  0.268610D+01 -0.433405D+01  0.572769D+01  0.354556D+01
      3   0.268610D+01  0.328540D+00 -0.339625D+01  0.354556D+01  0.648450D+00
                76            77            78            79            80 
      1  -0.212649D+01  0.402471D+01  0.297744D+01 -0.192439D+01  0.207647D+01
      2   0.402471D+01 -0.323335D+01 -0.907013D+00  0.207647D+01 -0.956498D+00
      3   0.297744D+01 -0.907013D+00 -0.169575D+01  0.171694D+00 -0.232689D+01
                81            82            83            84            85 
      1   0.171694D+00 -0.131315D+01  0.838309D+00  0.128668D+01  0.121393D+01
      2  -0.232689D+01  0.838309D+00  0.774563D+00 -0.269836D+00  0.354697D+01
      3   0.900445D+00  0.128668D+01 -0.269836D+00  0.114618D+01 -0.839331D+00
                86            87            88            89            90 
      1   0.354697D+01 -0.839331D+00  0.589004D+00 -0.616765D+00  0.193155D+01
      2   0.104090D+02 -0.558847D+01 -0.616765D+00 -0.348660D+01  0.130492D+01
      3  -0.558847D+01  0.140819D+01  0.193155D+01  0.130492D+01  0.901223D+00
                91            92            93            94            95 
      1  -0.119597D+01 -0.388489D+00 -0.246858D+01 -0.383061D+00 -0.160113D+01
      2  -0.388489D+00  0.505584D+00 -0.558503D+00 -0.160113D+01 -0.528471D+01
      3  -0.246858D+01 -0.558503D+00 -0.136431D+01 -0.541811D+00  0.488053D+01
                96            97            98            99           100 
      1  -0.541811D+00 -0.316286D+01 -0.263868D+00 -0.177126D+01  0.160749D+01
      2   0.488053D+01 -0.263868D+00  0.662288D+01 -0.231440D+01 -0.578171D+00
      3  -0.119149D+01 -0.177126D+01 -0.231440D+01  0.320824D+00  0.226274D+01
               101           102           103           104           105 
      1  -0.578171D+00  0.226274D+01 -0.110915D+01  0.253478D+01  0.133516D+01
      2   0.494841D+00  0.132159D+01  0.253478D+01 -0.419556D+01 -0.467607D+01
      3   0.132159D+01  0.162264D+01  0.133516D+01 -0.467607D+01 -0.797073D+00
               106           107           108           109           110 
      1   0.266182D+01  0.217630D+01  0.230250D+01 -0.169818D+00  0.257045D+01
      2   0.217630D+01 -0.611535D+01 -0.178430D+01  0.257045D+01 -0.227455D+01
      3   0.230250D+01 -0.178430D+01 -0.321314D+00 -0.570513D+00 -0.189446D+01
               111           112           113           114           115 
      1  -0.570513D+00  0.362781D+01 -0.487230D+01 -0.246025D+01 -0.417085D-01
      2  -0.189446D+01 -0.487230D+01  0.775930D+01  0.487944D+01 -0.154524D+01
      3  -0.146428D+01 -0.246025D+01  0.487944D+01  0.106662D+01 -0.220346D+01
               116           117           118           119           120 
      1  -0.154524D+01 -0.220346D+01 -0.487921D+00 -0.951525D+00  0.278567D+00
      2   0.290727D+01  0.768296D+00 -0.951525D+00 -0.412948D+00  0.420829D+00
      3   0.768296D+00 -0.906700D+00  0.278567D+00  0.420829D+00 -0.273585D+00
               121           122           123           124           125 
      1  -0.146866D+01  0.548976D+00  0.109437D+00  0.749470D+00  0.260580D+00
      2   0.548976D+00 -0.510376D+01  0.163485D+01  0.260580D+00  0.278534D+01
      3   0.109437D+00  0.163485D+01 -0.148782D+01  0.249319D+00 -0.201013D+01
               126           127           128           129           130 
      1   0.249319D+00  0.692643D+01 -0.334813D+01 -0.242150D+01 -0.267984D+01
      2  -0.201013D+01 -0.334813D+01  0.279366D+01  0.144249D+01  0.275845D+01
      3   0.210533D+01 -0.242150D+01  0.144249D+01  0.175233D+01  0.134334D+01
               131           132           133           134           135 
      1   0.275845D+01  0.134334D+01 -0.397101D+01  0.281069D+01  0.276491D+01
      2  -0.347417D+01 -0.119461D+01  0.281069D+01 -0.207714D+01 -0.218300D+01
      3  -0.119461D+01 -0.119705D+01  0.276491D+01 -0.218300D+01 -0.266824D+01
               136           137           138           139           140 
      1   0.307884D+01  0.131083D+01 -0.697128D+00  0.235263D+01  0.125465D+01
      2   0.131083D+01  0.946370D+00 -0.524634D+00  0.125465D+01  0.291081D+01
      3  -0.697128D+00 -0.524634D+00  0.864523D+00 -0.832694D+00 -0.121565D+01
               141           142           143           144           145 
      1  -0.832694D+00 -0.150895D+01 -0.101859D+01  0.160172D+01  0.991522D+01
      2  -0.121565D+01 -0.101859D+01 -0.201669D+01  0.123750D+01 -0.120998D+01
      3   0.124026D+01  0.160172D+01  0.123750D+01 -0.210305D+01  0.319768D+01
               146           147           148           149           150 
      1  -0.120998D+01  0.319768D+01 -0.170758D+01  0.175020D+01 -0.675322D+00
      2   0.130149D+01 -0.575762D+00  0.175020D+01 -0.864809D+00  0.419862D+00
      3  -0.575762D+00  0.208458D+01 -0.675322D+00  0.419862D+00 -0.401091D+00
               151           152           153           154           155 
      1   0.582521D+01 -0.970255D+00  0.349680D+01  0.383828D+01  0.134439D+01
      2  -0.970255D+00  0.221244D+00 -0.425967D+00  0.134439D+01  0.229057D+01
      3   0.349680D+01 -0.425967D+00  0.266893D+01  0.152580D+01  0.609882D+00
               156           157           158           159           160 
      1   0.152580D+01  0.773541D+00  0.136384D+01  0.299165D+00  0.250162D+01
      2   0.609882D+00  0.136384D+01  0.173102D+01  0.392287D+00  0.749557D+00
      3   0.142516D+01  0.299165D+00  0.392287D+00  0.508780D+00  0.161790D+01
               161           162           163           164           165 
      1   0.749557D+00  0.161790D+01  0.306433D+00  0.155090D+01 -0.295457D+00
      2   0.103654D+01  0.122092D+01  0.155090D+01  0.173257D+00 -0.119037D+00
      3   0.122092D+01  0.211156D+01 -0.295457D+00 -0.119037D+00  0.163712D+00
               166           167           168           169           170 
      1   0.124760D+01  0.767889D+00 -0.216561D+00 -0.117671D+00 -0.588362D+00
      2   0.767889D+00  0.102458D+02 -0.332025D+01 -0.588362D+00 -0.592741D+01
      3  -0.216561D+00 -0.332025D+01  0.211601D+01  0.511828D+00  0.348323D+01
               171           172           173           174           175 
      1   0.511828D+00 -0.463445D+01  0.112297D+01 -0.167430D+01  0.331882D+00
      2   0.348323D+01  0.112297D+01 -0.192934D+01  0.269328D+00 -0.117255D+01
      3  -0.266567D+01 -0.167430D+01  0.269328D+00 -0.150762D+01 -0.382424D-01
               176           177           178           179           180 
      1  -0.117255D+01 -0.382424D-01 -0.277465D+01  0.291490D+00 -0.187487D+01
      2   0.506282D+00 -0.243188D+00  0.291490D+00 -0.766896D+00  0.767571D+00
      3  -0.243188D+00  0.127456D+00 -0.187487D+01  0.767571D+00 -0.211191D+01
               181           182           183           184           185 
      1  -0.158677D+01  0.200755D+01  0.573102D+00  0.186523D+01 -0.245334D+01
      2   0.200755D+01 -0.180303D+01 -0.842091D+00 -0.245334D+01  0.913426D+01
      3   0.573102D+00 -0.842091D+00 -0.696745D+00 -0.938536D+00  0.304156D+01
               186           187           188           189           190 
      1  -0.938536D+00  0.781977D+00 -0.194091D+01 -0.137993D+01 -0.422875D+01
      2   0.304156D+01 -0.194091D+01  0.526133D+01  0.323645D+01  0.902615D+00
      3   0.200280D+01 -0.137993D+01  0.323645D+01  0.266320D+01  0.106605D+01
               191           192           193           194           195 
      1   0.902615D+00  0.106605D+01  0.199773D+01 -0.102777D+01 -0.872194D+00
      2  -0.996805D+00 -0.562850D+00 -0.102777D+01  0.207548D+01  0.851458D+00
      3  -0.562850D+00 -0.115027D+01 -0.872194D+00  0.851458D+00  0.981551D+00
               196           197           198           199           200 
      1   0.205222D+01 -0.100798D+01 -0.186359D+01 -0.827763D+01 -0.262409D+01
      2  -0.100798D+01  0.149225D+01  0.792575D+00 -0.262409D+01 -0.191771D+01
      3  -0.186359D+01  0.792575D+00  0.211000D+01 -0.271095D+01 -0.117675D+01
               201           202           203           204           205 
      1  -0.271095D+01 -0.298429D+01 -0.247558D+01 -0.127325D+01 -0.498809D+01
      2  -0.117675D+01 -0.247558D+01 -0.233829D+01 -0.904719D+00 -0.222139D+01
      3  -0.191427D+01 -0.127325D+01 -0.904719D+00 -0.915286D+00 -0.327298D+01
               206           207           208           209           210 
      1  -0.222139D+01 -0.327298D+01  0.128087D+01 -0.883040D+00 -0.497707D+00
      2  -0.105931D+01 -0.129825D+01 -0.883040D+00  0.125624D+01  0.716643D+00
      3  -0.129825D+01 -0.266666D+01 -0.497707D+00  0.716643D+00  0.640834D+00
               211           212           213           214           215 
      1  -0.113533D+01  0.198992D+00  0.407023D+00 -0.100652D+01  0.724524D+00
      2   0.198992D+00 -0.497552D+01 -0.141741D+01  0.724524D+00 -0.252308D+01
      3   0.407023D+00 -0.141741D+01 -0.137013D+01  0.267292D+00 -0.200791D+01
               216           217           218           219           220 
      1   0.267292D+00 -0.450133D+01 -0.324197D+01  0.165843D+01 -0.260260D+01
      2  -0.200791D+01 -0.324197D+01 -0.333976D+01  0.156457D+01 -0.313390D+01
      3  -0.210642D+01  0.165843D+01  0.156457D+01 -0.139118D+01  0.146539D+01
               221           222           223           224           225 
      1  -0.313390D+01  0.146539D+01  0.246791D+01  0.291244D+01 -0.211838D+01
      2  -0.581682D+01  0.195866D+01  0.291244D+01  0.358012D+01 -0.281405D+01
      3   0.195866D+01 -0.160387D+01 -0.211838D+01 -0.281405D+01  0.266815D+01
               226           227           228           229           230 
      1   0.243229D+01 -0.373600D+00  0.360244D+00 -0.185865D+01  0.122290D+01
      2  -0.373600D+00  0.319371D+01 -0.210108D+01  0.122290D+01 -0.401038D+01
      3   0.360244D+00 -0.210108D+01  0.162778D+01 -0.989869D+00  0.155338D+01
               231           232           233           234           235 
      1  -0.989869D+00  0.452367D+00 -0.110340D+01  0.709539D+00 -0.136415D+01
      2   0.155338D+01 -0.110340D+01  0.811906D+00 -0.962818D+00 -0.298763D+00
      3  -0.141035D+01  0.709539D+00 -0.962818D+00  0.185066D+01  0.112929D+01
               236           237           238           239           240 
      1  -0.298763D+00  0.112929D+01  0.537307D+00  0.117128D+01 -0.874219D+00
      2  -0.339030D+00 -0.146569D+00  0.117128D+01  0.191675D+01 -0.214081D+00
      3  -0.146569D+00 -0.163989D+01 -0.874219D+00 -0.214081D+00  0.150635D+01
               241           242           243           244           245 
      1   0.138735D+01  0.303192D+00 -0.140995D+01 -0.234243D+01  0.140465D+01
      2   0.303192D+00  0.138592D+01 -0.377750D+00  0.140465D+01 -0.183182D+01
      3  -0.140995D+01 -0.377750D+00  0.594943D+01 -0.683623D+00  0.107636D+01
               246           247           248           249           250 
      1  -0.683623D+00  0.369727D+01 -0.917976D+00  0.219022D+01 -0.224715D+00
      2   0.107636D+01 -0.917976D+00  0.328254D+01 -0.123111D+01  0.104230D+01
      3  -0.931906D+00  0.219022D+01 -0.123111D+01  0.194254D+01 -0.740038D+00
               251           252           253           254           255 
      1   0.104230D+01 -0.740038D+00  0.218381D+01  0.498039D+00  0.381966D+00
      2  -0.104290D+01  0.938892D+00  0.498039D+00 -0.267483D+00  0.458850D+00
      3   0.938892D+00 -0.185221D+01  0.381966D+00  0.458850D+00  0.102000D+01
               256           257           258           259           260 
      1  -0.118685D+01 -0.676066D+00 -0.269689D+00 -0.153738D+01 -0.261026D+00
      2  -0.676066D+00 -0.111373D+01 -0.129754D+01 -0.261026D+00 -0.123012D+01
      3  -0.269689D+00 -0.129754D+01 -0.198324D+01 -0.741254D+00 -0.126462D+01
               261           262           263           264           265 
      1  -0.741254D+00 -0.558926D+01  0.343218D+00  0.259070D+01 -0.619336D+00
      2  -0.126462D+01  0.343218D+00 -0.230742D+01 -0.299293D+00 -0.389092D-01
      3  -0.595530D+01  0.259070D+01 -0.299293D+00 -0.203278D+01  0.812299D+00
               266           267           268           269           270 
      1  -0.389092D-01  0.812299D+00  0.167728D+01  0.398031D+00 -0.118666D+01
      2  -0.132431D+01 -0.679254D+00  0.398031D+00 -0.413148D+00 -0.134177D+00
      3  -0.679254D+00 -0.703656D+00 -0.118666D+01 -0.134177D+00  0.184916D+01
               271           272           273           274           275 
      1   0.650687D+00 -0.879189D+00  0.561643D+00  0.111021D-01  0.846518D+00
      2  -0.879189D+00  0.232781D+01  0.120077D+01  0.846518D+00  0.237523D+00
      3   0.561643D+00  0.120077D+01  0.212272D+01  0.472382D+00  0.353713D+00
               276           277           278           279           280 
      1   0.472382D+00  0.112396D+01 -0.153978D+00  0.374554D+00  0.521544D+01
      2   0.353713D+00 -0.153978D+00  0.165341D+01  0.141611D+01  0.101750D+01
      3   0.670264D+00  0.374554D+00  0.141611D+01  0.595800D+01 -0.250678D+01
               281           282           283           284           285 
      1   0.101750D+01 -0.250678D+01  0.666591D+00  0.481329D+00 -0.250218D-01
      2   0.292109D+01 -0.113491D+01  0.481329D+00 -0.529312D+00  0.592201D+00
      3  -0.113491D+01  0.214507D+01 -0.250218D-01  0.592201D+00 -0.162252D+00
               286           287           288           289           290 
      1  -0.174209D+01 -0.167434D+00  0.118270D+01 -0.420953D+00 -0.140476D+00
      2  -0.167434D+00  0.474222D+00  0.171753D+00 -0.140476D+00 -0.250687D+01
      3   0.118270D+01  0.171753D+00 -0.184895D+01 -0.958022D+00  0.104097D+01
               291           292           293           294           295 
      1  -0.958022D+00  0.350973D+00 -0.856867D+00  0.314411D+00 -0.107880D+01
      2   0.104097D+01 -0.856867D+00 -0.854759D+00  0.450369D-01 -0.283737D-02
      3  -0.221986D+01  0.314411D+00  0.450369D-01  0.110070D+00 -0.721102D+00
               296           297           298           299           300 
      1  -0.283737D-02 -0.721102D+00  0.745224D+00  0.107572D+01 -0.833588D-01
      2  -0.168679D+01  0.127241D+01  0.107572D+01  0.151022D+01  0.731410D+00
      3   0.127241D+01 -0.595399D+01 -0.833588D-01  0.731410D+00  0.406560D+00
               301           302           303           304           305 
      1   0.352222D+01  0.121342D+01  0.184270D+01 -0.233167D+00  0.706643D+00
      2   0.121342D+01  0.429397D+01  0.199827D+01  0.706643D+00  0.150093D+01
      3   0.184270D+01  0.199827D+01  0.211875D+01  0.478327D+00  0.109886D+01
               306           307           308           309           310 
      1   0.478327D+00 -0.180586D+01 -0.308666D+00 -0.320706D+00 -0.203900D+01
      2   0.109886D+01 -0.308666D+00  0.541958D+00  0.369465D-01  0.509019D+00
      3   0.185501D+01 -0.320706D+00  0.369465D-01 -0.479972D+00 -0.693697D+00
               311           312           313           314           315 
      1   0.509019D+00 -0.693697D+00  0.165254D+01 -0.153257D+00  0.103533D+01
      2  -0.675384D+00  0.123951D+01 -0.153257D+00  0.112681D+01 -0.103601D+01
      3   0.123951D+01 -0.217925D+01  0.103533D+01 -0.103601D+01  0.595194D+01
               316           317           318           319           320 
      1  -0.187194D+01 -0.187758D-02  0.320282D+00 -0.193200D+01 -0.553660D+00
      2  -0.187758D-02 -0.208601D+01 -0.160871D+01 -0.553660D+00 -0.516804D+01
      3   0.320282D+00 -0.160871D+01 -0.121725D+01 -0.496371D+00 -0.223903D+01
               321           322           323           324           325 
      1  -0.496371D+00  0.653584D-01 -0.875883D+00 -0.443375D+00  0.109385D+01
      2  -0.223903D+01 -0.875883D+00 -0.133534D+01 -0.111343D+01  0.338000D+00
      3  -0.178072D+01 -0.443375D+00 -0.111343D+01 -0.185526D+01 -0.793896D+00
               326           327           328           329           330 
      1   0.338000D+00 -0.793896D+00  0.153152D+01 -0.131781D+01 -0.114064D+01
      2  -0.680439D-01 -0.411699D+00 -0.131781D+01  0.127792D+01 -0.122348D+00
      3  -0.411699D+00  0.120548D+01 -0.114064D+01 -0.122348D+00  0.187694D+01
               331           332           333 
      1  -0.153783D+01  0.264089D+00  0.146507D+01
      2   0.264089D+00 -0.123652D+01 -0.767390D-02
      3   0.146507D+01 -0.767390D-02 -0.595190D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.464558D+01 -0.552186D+01 -0.474753D+01 -0.719832D+01  0.335259D+01
      2   0.545480D+01  0.434415D+01  0.694979D+01  0.498553D+01 -0.471003D+01
      3   0.350559D+01 -0.769476D+01  0.204506D+01 -0.145510D+01  0.320805D+01
                 6             7             8             9            10 
      1   0.209946D+01 -0.531611D+01  0.365775D+01  0.107171D+01 -0.166162D+01
      2  -0.194499D+01  0.298078D+01 -0.574297D+00 -0.900943D+00  0.170292D-02
      3   0.955261D+01 -0.507670D+00  0.136947D+02  0.596667D+01 -0.868285D+00
                11            12            13            14            15 
      1   0.450048D+01 -0.183350D+00  0.431565D+01  0.205253D+01 -0.558338D+01
      2  -0.988850D+01 -0.753323D+00 -0.811597D+01 -0.143944D+01  0.686073D+01
      3   0.759463D+00  0.976564D+01  0.695429D+01 -0.584866D+01 -0.560246D+00
                16            17            18            19            20 
      1  -0.814424D+00 -0.131994D+01 -0.607823D+00  0.517558D+01 -0.959760D+01
      2  -0.190562D+01  0.674546D+01  0.133858D+01  0.166772D+02  0.497697D+01
      3   0.130877D+02 -0.412811D+01 -0.598867D+01 -0.128643D+02  0.742149D+01
                21            22            23            24            25 
      1   0.668492D+01 -0.158098D+02 -0.184879D+00 -0.933205D+01  0.457442D+01
      2  -0.339947D+00 -0.239612D+01  0.866336D+00 -0.889818D+01 -0.246310D+02
      3  -0.928661D+01  0.269011D+02  0.424293D+01  0.103038D+02 -0.312401D+01
                26            27            28            29            30 
      1   0.352591D-02  0.267605D+00  0.889447D-01 -0.449325D+00 -0.265505D-01
      2  -0.100955D+02 -0.183033D+02 -0.189994D+00 -0.302371D+00  0.172733D+01
      3   0.640913D+01  0.266894D+01 -0.923717D-01 -0.708030D+00  0.116001D+00
                31            32            33            34            35 
      1  -0.278465D+00 -0.235879D+00 -0.166754D+01  0.960272D-01 -0.313164D+01
      2  -0.167573D+00  0.282971D+00 -0.106895D+00  0.344309D+01 -0.300862D+00
      3   0.618956D+00  0.188422D+00  0.448278D-02  0.102674D+00 -0.194539D-01
                36            37            38            39            40 
      1  -0.300713D+00  0.867100D+00 -0.194220D+01  0.103003D+02  0.679634D+01
      2   0.983996D-01 -0.684938D+01 -0.125813D+02  0.462417D+01 -0.851653D+01
      3   0.103305D+00 -0.118859D+02 -0.201790D+02  0.745722D+01 -0.628295D+00
                41            42            43            44            45 
      1   0.173428D+02 -0.430976D+01  0.154203D+02  0.191615D+02 -0.175717D+02
      2   0.697095D+01 -0.802121D+01 -0.551419D+01 -0.986229D+01  0.500876D+01
      3   0.204341D+02 -0.116917D+02  0.526326D+01 -0.468973D+01 -0.266451D+01
                46            47            48            49            50 
      1  -0.275376D+01 -0.871981D+01 -0.328337D+01 -0.167147D+02 -0.638735D+01
      2   0.160301D+02 -0.324898D+01 -0.359454D+01  0.222908D+01 -0.423945D+00
      3   0.329960D+01  0.944940D+01  0.635878D+01  0.289877D+02  0.514370D+01
                51            52            53            54            55 
      1  -0.125345D+02  0.237174D+01 -0.204715D+01  0.447589D+01  0.456243D+00
      2   0.563220D+01 -0.268078D+02  0.329468D+01 -0.178534D+02 -0.452334D+01
      3   0.123664D+02  0.145906D+01  0.704767D+01 -0.273390D+01 -0.688694D+00
                56            57            58            59            60 
      1   0.237082D+01  0.127973D+01  0.264629D+01 -0.433893D+00 -0.345409D+01
      2   0.999029D+01  0.140566D+01  0.820134D+01  0.309027D+01 -0.796152D+01
      3  -0.939041D+00 -0.929429D+01  0.528200D+01  0.741786D+01 -0.304022D+01
                61            62            63            64            65 
      1   0.112054D+01  0.751184D+00  0.256090D+00  0.520857D+01 -0.234185D+01
      2   0.105857D+00 -0.699998D+01  0.140404D+01  0.868540D+01 -0.191883D+01
      3  -0.115935D+02 -0.733390D+01  0.594424D+01 -0.121953D+01 -0.719284D+01
                66            67            68            69            70 
      1   0.234408D+01 -0.377512D+01 -0.416749D+01  0.220433D+01  0.344028D+01
      2   0.704346D+01 -0.295057D+01 -0.768230D+01  0.431460D+01  0.377057D+01
      3  -0.438754D+01 -0.970883D+00 -0.549867D+01  0.874446D+01 -0.299187D+01
                71            72            73            74            75 
      1   0.435502D+01 -0.845061D+00 -0.157322D+00 -0.238199D+00 -0.925461D+01
      2   0.245684D+01 -0.119583D+01 -0.115527D+02  0.809263D+01  0.142351D+00
      3   0.134213D+02 -0.595398D+01  0.149758D+02 -0.108636D+02 -0.432112D+01
                76            77            78            79            80 
      1   0.919577D+01 -0.174395D+02 -0.883436D+01 -0.172249D+02  0.120915D+02
      2   0.632422D+01  0.709265D+01  0.694874D+01 -0.126669D+02  0.116145D+02
      3   0.865523D+01 -0.234260D+02 -0.132063D+02 -0.396966D+01 -0.598778D+01
                81            82            83            84            85 
      1   0.157934D+02 -0.281918D+01  0.266014D+01 -0.832961D+00 -0.609845D+00
      2   0.940599D+01 -0.124067D+02 -0.151492D+02  0.136143D+02 -0.611573D+01
      3   0.270304D+01 -0.149307D+02 -0.257661D+02  0.135347D+02 -0.632092D+01
                86            87            88            89            90 
      1   0.155413D+02  0.469411D+01  0.422671D+01  0.248530D+02 -0.159476D+02
      2  -0.731724D+00 -0.139471D+01  0.186978D+00 -0.974531D+01  0.893317D+01
      3   0.625092D+01  0.291080D+01  0.706813D+01 -0.465719D+00  0.266262D+01
                91            92            93            94            95 
      1   0.714569D+01  0.552887D+01  0.785842D+01  0.716279D+01 -0.858173D+01
      2  -0.101660D+01  0.109901D+01  0.956533D+00  0.388916D+00  0.140917D+01
      3  -0.793304D+01 -0.290028D+01 -0.535435D+01  0.331689D+01  0.122627D+01
                96            97            98            99           100 
      1  -0.385693D+01  0.624178D+01 -0.210826D+01  0.146224D+01 -0.881105D+01
      2  -0.117201D+01 -0.275768D+01 -0.333574D+00 -0.143153D+00 -0.284115D+01
      3  -0.817159D+01 -0.101042D+02 -0.928835D+01 -0.597968D+01  0.720899D+01
               101           102           103           104           105 
      1   0.123419D+01 -0.654899D+01  0.262535D+01  0.100767D+02 -0.591857D+01
      2  -0.133718D+01 -0.105623D+01 -0.223834D+00  0.357672D+01 -0.147490D+00
      3  -0.670860D+00  0.725136D+01  0.555989D+01 -0.519592D+00 -0.654610D+01
               106           107           108           109           110 
      1  -0.463669D+01 -0.342365D+01 -0.136873D+01  0.541972D+01  0.406618D+01
      2  -0.405650D+01 -0.128456D+01 -0.501757D+00 -0.159914D+02  0.124030D+02
      3   0.121378D+02 -0.636655D+01  0.599238D+01  0.214021D+02 -0.185064D+02
               111           112           113           114           115 
      1  -0.359395D+01  0.317190D+01 -0.143153D+02  0.338637D+01 -0.945642D+01
      2   0.123456D+02  0.274345D+01  0.132118D+00  0.588126D+01 -0.481984D+01
      3  -0.138790D+02  0.975683D+00 -0.128241D+02 -0.635756D+00 -0.681401D+01
               116           117           118           119           120 
      1   0.198173D+02  0.132395D+02  0.940142D+00  0.128725D+01 -0.152263D+01
      2   0.150415D+02  0.127654D+02  0.101052D+01  0.136478D+01 -0.639758D+00
      3  -0.229707D+01 -0.269846D+01  0.629727D+01  0.331765D+01 -0.233639D+01
               121           122           123           124           125 
      1   0.499177D+00  0.485709D+01 -0.520081D+01  0.105726D+00 -0.388849D+01
      2   0.719860D+00  0.539550D+01 -0.388820D+01 -0.181858D+01 -0.523137D+01
      3   0.388024D+01  0.132432D+02 -0.538485D+01 -0.386327D+01 -0.908008D+01
               126           127           128           129           130 
      1   0.625364D+01 -0.242885D+01  0.131517D+01  0.337422D+01  0.819843D+00
      2   0.687228D+01 -0.174458D+01  0.221493D+01  0.505248D+01  0.114398D+01
      3   0.516883D+01 -0.550487D+01 -0.213649D+01  0.615524D+00 -0.796197D+00
               131           132           133           134           135 
      1  -0.270005D+00 -0.268900D+01  0.190846D+01 -0.430054D+00 -0.408439D+01
      2  -0.119963D+01 -0.341051D+01  0.184200D+00 -0.177369D+01 -0.585033D+01
      3   0.437513D+01  0.899188D+00  0.404333D+01 -0.821824D+00  0.177621D+00
               136           137           138           139           140 
      1  -0.126970D+00 -0.232320D+00 -0.201822D+00 -0.133046D+00 -0.335346D+00
      2  -0.295664D+01 -0.243364D+01  0.349905D+01 -0.344633D+01 -0.565210D+01
      3  -0.620643D+01 -0.378972D+01  0.217288D+01 -0.321403D+01 -0.133335D+02
               141           142           143           144           145 
      1  -0.106850D+01 -0.273185D+00  0.165670D+01 -0.479289D+00  0.544592D+00
      2   0.560792D+01  0.374830D+01  0.538869D+01 -0.925733D+01  0.391964D+01
      3   0.544867D+01  0.371846D+01  0.912905D+01 -0.516468D+01 -0.940484D+00
               146           147           148           149           150 
      1   0.770788D+00  0.123275D+01  0.358649D+00 -0.351638D+00 -0.490553D+00
      2  -0.419499D+00  0.725607D+01 -0.152259D+01  0.594357D-01 -0.118903D+01
      3  -0.560079D+01 -0.208051D+00 -0.425746D+01  0.207598D+01 -0.107022D+01
               151           152           153           154           155 
      1  -0.175337D+00  0.153725D+01  0.128043D+01 -0.682769D+01 -0.228939D+01
      2   0.215378D+01  0.431306D-01  0.702066D+01  0.142394D+01  0.569375D+00
      3   0.342007D+01 -0.229151D+01 -0.182867D+00  0.145798D+02  0.910734D+00
               156           157           158           159           160 
      1  -0.582461D+01 -0.133230D+01 -0.162118D+01 -0.186649D+01 -0.637258D+01
      2   0.271267D+01  0.205427D+00  0.390165D+00  0.422253D+00  0.154292D+00
      3   0.583272D+01  0.150631D+01  0.491021D+01  0.659603D+00  0.979580D+01
               161           162           163           164           165 
      1  -0.192553D+01 -0.908970D+01 -0.155641D+00 -0.262489D+00 -0.703912D+00
      2   0.124511D+01  0.198019D+01  0.418322D-01  0.593181D+00  0.342707D+00
      3   0.117984D+01  0.516937D+01  0.642281D+00  0.433355D+01 -0.108939D+01
               166           167           168           169           170 
      1   0.912080D+00  0.406829D+01 -0.740250D+01 -0.971013D+00 -0.185267D+01
      2   0.700323D+00 -0.911207D+00  0.657924D+00 -0.122393D+01  0.109544D+01
      3   0.568266D+01 -0.177146D+01  0.797918D-01 -0.131005D+01  0.390910D+01
               171           172           173           174           175 
      1   0.710302D+01  0.674826D+01 -0.663393D+00  0.521543D+01  0.168905D+00
      2  -0.615737D+00  0.337703D+01 -0.445454D+00  0.418950D+01  0.139889D+00
      3   0.183780D+00 -0.145483D+02 -0.164923D+01 -0.581770D+01 -0.107631D+01
               176           177           178           179           180 
      1   0.989347D+00 -0.358288D+00  0.633630D+01  0.775281D-01  0.829079D+01
      2   0.535758D+00  0.207843D+00  0.214153D+01 -0.119448D+01  0.423033D+01
      3  -0.499080D+01 -0.863607D+00 -0.979023D+01 -0.137830D+01 -0.518241D+01
               181           182           183           184           185 
      1  -0.337098D+00  0.775076D+00  0.234969D+01  0.194285D+01 -0.321598D+01
      2   0.221128D+00 -0.836117D-01  0.113617D+01  0.112338D+00 -0.204633D+01
      3  -0.294773D+01  0.308828D+01  0.102858D+01  0.444641D+01  0.407319D+01
               186           187           188           189           190 
      1  -0.661155D+01  0.159071D+01 -0.113770D+01 -0.670496D+01  0.138649D+01
      2  -0.230187D+01 -0.518196D+00 -0.171739D+01 -0.239582D+01 -0.438570D+01
      3   0.353209D+00  0.269296D+00  0.410929D+01 -0.186220D+00  0.835924D+01
               191           192           193           194           195 
      1  -0.939541D+00 -0.765336D+00 -0.110261D+01  0.126094D+01  0.201401D+00
      2   0.256313D+01  0.476068D+01  0.355028D+01 -0.386582D+01 -0.465311D+01
      3  -0.508598D+01 -0.349443D+01 -0.448455D+01  0.111667D+02  0.473512D+01
               196           197           198           199           200 
      1  -0.141770D+01  0.271672D+01  0.282435D+01 -0.155050D+01  0.142610D+00
      2   0.476228D+01 -0.372572D+01 -0.887715D+01  0.290780D+01  0.133046D+01
      3  -0.590873D+01  0.793053D+01  0.518041D+01  0.317120D+01 -0.422614D+01
               201           202           203           204           205 
      1  -0.273276D+01 -0.539836D+00  0.346497D+00 -0.151838D+01 -0.744346D+00
      2   0.622464D+01  0.229639D+01  0.911191D+00  0.269496D+01  0.196188D+01
      3   0.468957D+00 -0.287059D+01 -0.428973D+01 -0.979884D+00 -0.273056D+01
               206           207           208           209           210 
      1   0.135162D+01 -0.301458D+01 -0.204513D+01  0.265283D+01  0.309168D+01
      2   0.875269D+00  0.645549D+01  0.132649D+01 -0.168501D+01 -0.836581D+00
      3  -0.308337D+01  0.179268D+00 -0.848889D+01  0.453284D+01  0.363485D+01
               211           212           213           214           215 
      1   0.170915D+01 -0.519146D+01 -0.540154D+01  0.161658D+01 -0.486050D+01
      2  -0.125124D+01  0.339254D+01  0.230909D+01 -0.274854D+01  0.349574D+01
      3   0.509287D+01 -0.110252D+02 -0.460019D+01  0.604005D+01 -0.779332D+01
               216           217           218           219           220 
      1  -0.777640D+01  0.193728D+01  0.219751D+01 -0.351933D+01  0.144394D+01
      2   0.505167D+01 -0.408759D+00 -0.162896D+01  0.324000D+01 -0.721188D+00
      3  -0.516159D+01  0.559259D+01  0.476725D+00 -0.823901D+00  0.182001D+01
               221           222           223           224           225 
      1   0.142958D+01 -0.451501D+01 -0.161873D+01 -0.133566D+01  0.544161D+01
      2  -0.176083D+01  0.356111D+01 -0.700751D+00  0.148882D+01 -0.462464D+01
      3  -0.445775D+01  0.722132D+00 -0.370272D+01 -0.181622D+01 -0.183304D+00
               226           227           228           229           230 
      1   0.647176D+00  0.449632D+01  0.905869D-01  0.916625D+00 -0.192949D+01
      2  -0.672961D+01  0.475686D+01 -0.259576D+01  0.412991D+01 -0.401522D+01
      3  -0.833920D+01  0.647853D+01 -0.418687D+01  0.610060D+01 -0.585997D+01
               231           232           233           234           235 
      1  -0.112740D+01  0.992130D+00 -0.691549D+00  0.156143D+01  0.221503D+01
      2   0.296829D+01 -0.256498D+01  0.188432D+01 -0.264098D+01  0.812881D+00
      3   0.320556D+01 -0.120887D+01  0.203285D+01 -0.306305D+01  0.187441D+01
               236           237           238           239           240 
      1  -0.124961D+01 -0.382117D+01 -0.200180D+01 -0.650509D+00  0.525088D+01
      2   0.511762D+00  0.427356D+00 -0.165457D+01 -0.170027D+01 -0.496975D-01
      3  -0.996949D+00 -0.233590D+01 -0.203822D+01 -0.257299D+01  0.253195D+01
               241           242           243           244           245 
      1  -0.309240D+01  0.117492D+01  0.123890D+02 -0.196763D+01  0.302138D+01
      2  -0.185357D+01 -0.719070D-02 -0.280140D+01  0.166606D+00  0.414789D+00
      3  -0.258741D+01 -0.118086D+00  0.270368D+01  0.282055D+01 -0.457703D+01
               246           247           248           249           250 
      1  -0.179463D+01  0.459160D+01 -0.876778D+01  0.308889D+01 -0.980561D+00
      2   0.161579D+01  0.371735D+01  0.145694D+01 -0.122559D+01  0.668239D+00
      3   0.196962D+01 -0.497870D+01  0.114027D+02 -0.489519D+01  0.162147D+01
               251           252           253           254           255 
      1   0.257847D+01 -0.213536D+01 -0.207956D+01 -0.119471D+01 -0.114515D+01
      2  -0.190813D+01  0.218765D+01 -0.744160D+00 -0.763241D+00 -0.390089D+01
      3  -0.171324D+01  0.306294D+01  0.303011D+01  0.687971D+00  0.181832D+01
               256           257           258           259           260 
      1   0.112956D+01  0.167515D+01  0.933714D+00  0.405812D+00  0.259159D+01
      2  -0.599459D+00  0.246783D+01  0.498202D+01 -0.405353D+00  0.268172D+01
      3  -0.369549D+00 -0.232131D+01 -0.292058D+01 -0.844513D+00 -0.244125D+01
               261           262           263           264           265 
      1   0.584094D+00 -0.559269D+01 -0.344355D+01  0.385724D+01 -0.220434D+01
      2   0.126735D+02  0.743219D+01  0.202168D+00 -0.105379D+01  0.363091D+01
      3  -0.270275D+01 -0.119496D+02 -0.402752D+01  0.486385D+01 -0.442511D+01
               266           267           268           269           270 
      1  -0.312677D+01  0.419668D+00  0.307364D+01  0.137783D+01 -0.305677D+01
      2  -0.910135D+00 -0.808630D+00 -0.500133D+00 -0.164222D+00 -0.146030D-01
      3  -0.233114D+01  0.201033D+01  0.235854D+01  0.123843D-01 -0.307823D+01
               271           272           273           274           275 
      1  -0.124991D+01  0.937991D+00 -0.344344D+01 -0.555759D+00 -0.341759D+00
      2  -0.102308D+01 -0.332479D+01 -0.547894D+01 -0.153573D+01  0.437710D-01
      3  -0.132320D+00  0.319802D+01  0.336463D+01  0.213773D+01 -0.532810D+00
               276           277           278           279           280 
      1  -0.654813D+00 -0.486616D+00  0.346794D+00 -0.862292D+01  0.460367D+01
      2  -0.412578D+00 -0.268392D+01 -0.261551D+01 -0.934693D+01  0.929991D+01
      3   0.751731D+00  0.119851D+01  0.229255D+01  0.270854D+01  0.133973D+02
               281           282           283           284           285 
      1  -0.294113D+01 -0.339909D+01 -0.845779D+00  0.216068D+01 -0.707272D+00
      2   0.138126D+01 -0.213142D+01 -0.158850D+01 -0.801607D+00  0.362198D+00
      3  -0.116329D+01 -0.520697D+01 -0.149953D+01  0.849943D+00  0.712224D+00
               286           287           288           289           290 
      1  -0.307273D+01  0.531119D+00  0.296525D+01  0.154674D+01  0.349081D+00
      2  -0.137401D+01  0.200446D+00  0.734991D+00 -0.170875D+01  0.297950D+01
      3  -0.229782D+01 -0.551181D+00  0.305619D+01 -0.109364D+01  0.278301D+01
               291           292           293           294           295 
      1   0.472689D+01 -0.647288D+00  0.685988D-01  0.506413D+00  0.115542D+01
      2  -0.430758D+01  0.948269D+00  0.130051D+01 -0.883669D+00 -0.301747D+01
      3  -0.342030D+01  0.173344D+01  0.183971D+01 -0.102534D+00 -0.168118D+01
               296           297           298           299           300 
      1  -0.333373D-01  0.106841D+02  0.230431D+00  0.953789D+00  0.634112D+00
      2   0.193176D+01 -0.683745D+01  0.137594D+01 -0.241185D+00  0.144374D+01
      3   0.196748D+01 -0.269643D+01 -0.108440D+01 -0.184424D+01 -0.687857D+00
               301           302           303           304           305 
      1   0.327727D+01  0.979726D+01  0.290114D+01  0.253363D+00  0.212409D+01
      2  -0.303857D+01  0.293520D+01  0.243340D+01  0.225677D+00  0.265773D+01
      3  -0.219210D+01 -0.132137D+02 -0.521922D+01 -0.114288D+01 -0.206743D+01
               306           307           308           309           310 
      1   0.152435D+01  0.198578D+01 -0.223119D+00  0.148523D+01  0.202392D+01
      2   0.266238D+01 -0.379610D+00 -0.131284D+00 -0.220391D+01  0.262508D+00
      3  -0.308305D+01 -0.274001D+01 -0.621480D+00 -0.103055D+01 -0.166909D+01
               311           312           313           314           315 
      1  -0.206408D+01  0.263657D+01 -0.107079D+01  0.303434D+01 -0.376864D+01
      2   0.220320D+01 -0.535764D+01 -0.365151D-01 -0.203931D+01  0.121232D+02
      3   0.210778D+01 -0.330460D+01  0.137798D+01 -0.218747D+01  0.271872D+01
               316           317           318           319           320 
      1  -0.659619D+00  0.464636D+01  0.658073D+00  0.102255D+01  0.461511D+01
      2  -0.475437D+01 -0.378088D+01 -0.164625D+01 -0.408407D+01 -0.538656D+01
      3   0.515239D+01  0.626490D+01  0.323849D+01  0.586980D+01  0.911512D+01
               321           322           323           324           325 
      1  -0.192215D+00 -0.268623D+00 -0.252230D+00 -0.833964D+00 -0.127764D+01
      2  -0.369650D+01 -0.216938D+01 -0.261718D+01 -0.294570D+01  0.439327D-01
      3   0.416331D+01  0.682713D+00  0.226013D+01  0.306550D+01 -0.845107D+00
               326           327           328           329           330 
      1  -0.165672D+01  0.216182D+01 -0.298363D+01 -0.260228D-01  0.581886D+01
      2  -0.420812D+00  0.982556D+00  0.149861D+01 -0.127610D+01  0.167949D+01
      3  -0.187785D+01  0.161953D+01 -0.292946D+01  0.154837D+01  0.304030D+01
               331           332           333 
      1   0.305767D+01  0.196360D+01 -0.112554D+02
      2  -0.105835D+01  0.463049D-01 -0.584317D+01
      3   0.252844D+01  0.523944D+00 -0.271226D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341713D+01 -0.386307D+01 -0.113919D-01 -0.490565D+00  0.490648D+01
      2  -0.455262D+01 -0.910758D+00  0.135716D+02  0.770071D-02 -0.118555D+02
      3   0.113549D+01  0.477383D+01 -0.135602D+02  0.482864D+00  0.694899D+01
      4  -0.904715D+01 -0.169638D+02  0.191358D+02 -0.879245D+01 -0.155390D+02
      5   0.742877D+01  0.148084D+02 -0.363327D+01  0.146072D+02  0.636601D+01
      6   0.105573D+02  0.185070D+02 -0.907564D+00  0.176521D+02  0.135551D+01
                 6             7             8             9            10 
      1   0.156489D+02 -0.390226D+01  0.163432D+02  0.737161D+01 -0.215600D+02
      2  -0.928635D+01  0.157140D+02 -0.102769D+02 -0.118530D+02  0.136739D+02
      3  -0.636258D+01 -0.118117D+02 -0.606637D+01  0.448139D+01  0.788600D+01
      4   0.156003D+02  0.219245D+02  0.209657D+02 -0.892653D+01 -0.147937D+02
      5  -0.869158D+01 -0.334531D+01 -0.109654D+02  0.212873D+01 -0.145353D+02
      6  -0.101088D+02 -0.268823D+01 -0.151510D+02  0.135307D+01 -0.104821D+02
                11            12            13            14            15 
      1  -0.101788D+01 -0.633270D+01 -0.619631D+01 -0.566787D+01 -0.214576D+02
      2   0.238241D+01 -0.338689D+01  0.329621D+01  0.547655D+01  0.100765D+02
      3  -0.136454D+01  0.971959D+01  0.290010D+01  0.191320D+00  0.113811D+02
      4  -0.527027D+01 -0.225248D+02 -0.128755D+02 -0.104282D+00 -0.727483D+01
      5  -0.202489D+02 -0.121351D+02 -0.210919D+02 -0.606378D+00  0.140386D+01
      6  -0.775301D+01 -0.638710D+01 -0.769482D+01  0.329080D+00 -0.165605D+01
                16            17            18            19            20 
      1  -0.895870D+01 -0.240058D+02 -0.150619D+02  0.778771D+01  0.305871D+01
      2  -0.237691D-01  0.142169D+02  0.105753D+02 -0.496977D+01 -0.697172D+01
      3   0.898247D+01  0.978889D+01  0.448657D+01 -0.281794D+01  0.391301D+01
      4  -0.275952D+02 -0.676885D+01 -0.275812D+01  0.185787D+02 -0.271901D+00
      5  -0.178121D+02  0.130298D+01 -0.185022D+01  0.952849D+01  0.119181D+02
      6  -0.699888D+01 -0.703041D+00 -0.168894D+01  0.398645D+01 -0.698860D+00
                21            22            23            24            25 
      1   0.294924D+01  0.549851D+01 -0.242181D+01  0.123566D+02 -0.134212D+01
      2  -0.164047D+01 -0.596992D+01  0.279584D+01 -0.204028D+01 -0.492756D-01
      3  -0.130877D+01  0.471406D+00 -0.374027D+00 -0.103163D+02  0.139140D+01
      4   0.140017D+02  0.448151D+01  0.821807D+01  0.852534D+00  0.696262D+01
      5   0.552827D+01  0.113096D+02 -0.438743D+01  0.155960D+01  0.278809D+01
      6   0.427148D+01 -0.178587D+01  0.139932D+01 -0.324271D+01  0.277956D+01
                26            27            28            29            30 
      1   0.105435D+02  0.774567D+01 -0.119588D+02 -0.646160D-01  0.436631D+01
      2  -0.279752D+01  0.138914D+01  0.176371D+01  0.564558D-01 -0.438829D+01
      3  -0.774596D+01 -0.913481D+01  0.101951D+02  0.816015D-02  0.219843D-01
      4  -0.496261D+00  0.152220D+00 -0.462671D-01 -0.682886D+01  0.177464D+01
      5  -0.544272D+00 -0.443072D+01  0.222297D+01  0.905985D+00 -0.115861D+01
      6  -0.245299D+01 -0.601481D+01  0.894947D+00 -0.225097D+01  0.391865D-01
                31            32            33            34            35 
      1  -0.657446D-01  0.175929D+01  0.174459D+01  0.728426D+01  0.288854D+01
      2   0.752012D-01 -0.119350D+02 -0.176467D+01 -0.728751D+01 -0.290333D+01
      3  -0.945659D-02  0.101757D+02  0.200802D-01  0.325326D-02  0.147854D-01
      4  -0.687890D+01 -0.208960D-01 -0.439910D+01  0.297260D+01 -0.726058D+01
      5   0.849561D+00 -0.225664D+01 -0.479831D-01  0.537518D+01 -0.352341D-01
      6  -0.224792D+01 -0.897275D+00 -0.115857D+01 -0.432964D-01  0.533533D+01
                36            37            38            39            40 
      1  -0.512126D+00  0.415417D+01 -0.256202D+01 -0.936256D+00 -0.608701D+01
      2  -0.542463D+00 -0.473399D+01  0.300680D+01 -0.934162D+01  0.309239D+01
      3   0.105459D+01  0.579825D+00 -0.444776D+00  0.102779D+02  0.299462D+01
      4  -0.258895D-01  0.896268D+01  0.953866D+01 -0.771039D+01  0.514136D+01
      5   0.191385D-01 -0.155236D+01 -0.256684D+01 -0.112921D+01 -0.378040D+01
      6   0.516279D-01 -0.214550D+01 -0.129895D+02  0.338450D+01 -0.133130D+02
                41            42            43            44            45 
      1   0.785897D+01 -0.578067D+01  0.115891D+01 -0.384091D+01  0.193883D+01
      2  -0.413875D+01  0.724640D+01 -0.824851D+01  0.723007D+01  0.721506D+01
      3  -0.372022D+01 -0.146573D+01  0.708961D+01 -0.338916D+01 -0.915389D+01
      4   0.159704D+02 -0.115621D+02 -0.440793D+01 -0.470623D+01  0.177031D+01
      5  -0.495610D+01  0.611212D+01 -0.149849D+01  0.394124D+01  0.695296D+01
      6  -0.133523D+01  0.344150D+01  0.662163D+00  0.186674D+01  0.267706D+01
                46            47            48            49            50 
      1   0.173839D+02  0.177436D+01  0.122144D+02 -0.282169D+01  0.587978D+00
      2  -0.158495D+02  0.245146D+01 -0.830637D+01  0.360973D+01  0.104161D+01
      3  -0.153439D+01 -0.422581D+01 -0.390801D+01 -0.788042D+00 -0.162959D+01
      4  -0.123618D+02 -0.372480D+01 -0.998672D+01  0.643992D-02 -0.913268D+01
      5   0.146456D+02 -0.646793D+01  0.640041D+01 -0.555894D+01 -0.836473D+01
      6   0.540945D+00 -0.289957D+01 -0.175497D+01 -0.380150D+01 -0.444660D+01
                51            52            53            54            55 
      1  -0.900094D+01  0.450991D+01 -0.857916D+01  0.740357D+01 -0.288808D+02
      2  -0.614434D+00 -0.387849D+01  0.745422D+00  0.173011D+01  0.211053D+02
      3   0.961537D+01 -0.631426D+00  0.783374D+01 -0.913368D+01  0.777555D+01
      4  -0.554174D+01 -0.523060D+01 -0.521314D+01  0.140711D+01  0.687503D+01
      5   0.987897D+00  0.299175D+01  0.195423D+01 -0.580298D+01 -0.264529D+02
      6  -0.413424D+01 -0.134352D+01 -0.264523D+01  0.467951D+01  0.710409D+01
                56            57            58            59            60 
      1  -0.292728D+01 -0.224939D+02  0.565759D+01 -0.267707D+01  0.178918D+02
      2  -0.427078D+00  0.101764D+02 -0.472894D+01  0.234125D+01 -0.933979D+01
      3   0.335436D+01  0.123175D+02 -0.928643D+00  0.335823D+00 -0.855200D+01
      4  -0.130018D+01  0.179103D+02 -0.641960D+01 -0.530563D+01  0.617253D+01
      5   0.147301D+02 -0.126454D+02  0.155522D+02  0.924736D+01 -0.428307D+01
      6  -0.367934D+00  0.348295D+01 -0.943169D-01 -0.112639D+01 -0.109623D+01
                61            62            63            64            65 
      1  -0.275360D+02  0.185020D+02 -0.147516D+02 -0.586663D+01  0.115065D+02
      2   0.163752D+02 -0.113189D+02  0.102832D+02  0.306018D+01 -0.565885D+01
      3   0.111609D+02 -0.718309D+01  0.446839D+01  0.280646D+01 -0.584762D+01
      4   0.202394D+02  0.894887D+01 -0.385622D+01  0.156916D+02 -0.145532D+02
      5  -0.181070D+02 -0.582971D+01 -0.225493D+01  0.188850D+02 -0.157637D+02
      6   0.244722D+01 -0.400518D+00  0.116741D+01 -0.145171D+02  0.102589D+02
                66            67            68            69            70 
      1   0.154248D+02  0.428091D+01  0.472847D+00 -0.184038D+02  0.141711D+02
      2  -0.686626D+00 -0.270610D+01 -0.577369D+01  0.156941D+02 -0.120072D+01
      3  -0.147381D+02 -0.157481D+01  0.530084D+01  0.270972D+01 -0.129704D+02
      4  -0.212404D+02 -0.808847D+01  0.118639D+02  0.213887D+01 -0.260980D+02
      5  -0.644939D+01 -0.153782D+02 -0.253281D+01  0.965772D+01 -0.748437D+01
      6   0.189070D+01  0.946756D+01  0.651483D+01 -0.732705D+01  0.468149D+01
                71            72            73            74            75 
      1  -0.220586D+02  0.173743D+01  0.833079D+01 -0.421790D+01 -0.780227D+01
      2   0.191898D+02 -0.621089D+01 -0.924496D+01  0.254614D+01 -0.177293D+01
      3   0.286879D+01  0.447346D+01  0.914166D+00  0.167176D+01  0.957521D+01
      4   0.525748D+01  0.124678D+02 -0.100062D+02  0.994333D+01  0.102514D+02
      5   0.129607D+02  0.240350D+01 -0.541165D+01  0.571831D+01  0.146677D+01
      6  -0.110353D+02 -0.770542D+00  0.742059D+01 -0.998525D+01 -0.389423D+01
                76            77            78            79            80 
      1   0.121210D+01  0.146053D+02  0.895234D+01 -0.290382D+01  0.487261D+01
      2   0.549608D+00 -0.104870D+02 -0.129890D+02 -0.309372D+01 -0.994423D+01
      3  -0.176171D+01 -0.411834D+01  0.403670D+01  0.599754D+01  0.507163D+01
      4   0.701062D+01 -0.660463D+01 -0.443586D+01  0.626526D+01  0.256040D+00
      5   0.699142D+01 -0.180033D+01 -0.661549D+01 -0.159405D+00 -0.448128D+01
      6  -0.999676D+01 -0.570892D+01  0.783143D+00 -0.117518D+01  0.482883D+00
                81            82            83            84            85 
      1   0.313125D+01 -0.383543D+01 -0.112655D+01  0.702556D+01 -0.386439D+01
      2   0.600065D+01  0.669277D+01  0.156563D+01  0.126457D+01  0.774200D+01
      3  -0.913190D+01 -0.285734D+01 -0.439076D+00 -0.829012D+01 -0.387760D+01
      4  -0.283269D+01 -0.883856D+01  0.183977D+00  0.754337D+01 -0.155939D+01
      5   0.741970D+01  0.818708D+01  0.173037D+01 -0.355579D+01  0.110635D+01
      6  -0.826596D+00  0.794336D+01 -0.159214D+01  0.369311D+01 -0.503376D+00
                86            87            88            89            90 
      1  -0.195915D+02  0.105058D+02  0.401341D+01  0.508665D+01  0.285459D+01
      2   0.198928D+02 -0.167647D+02  0.337985D+01 -0.775228D+01  0.630296D+01
      3  -0.301284D+00  0.625889D+01 -0.739326D+01  0.266564D+01 -0.915755D+01
      4  -0.129952D+01  0.145542D+01  0.723136D+01  0.492245D+00  0.267439D+01
      5  -0.607024D+01  0.978308D+00 -0.210604D+01  0.624116D-01 -0.299236D+01
      6  -0.150296D+02  0.584752D+01  0.336766D+01  0.243493D+01  0.684163D+01
                91            92            93            94            95 
      1  -0.133802D+01 -0.108879D+01 -0.307226D+00  0.492096D+01  0.218060D+02
      2  -0.102001D+00  0.292947D+00 -0.469958D+01 -0.100016D+02 -0.284463D+02
      3   0.144002D+01  0.795848D+00  0.500680D+01  0.508060D+01  0.664033D+01
      4  -0.702226D+01 -0.280441D+01 -0.136607D+02 -0.163918D+01 -0.558096D+01
      5  -0.315954D+01 -0.310438D+01 -0.211675D+01 -0.263380D+01  0.192808D+01
      6  -0.141144D+02 -0.370581D+01 -0.720455D+01 -0.299021D+01  0.322910D+02
                96            97            98            99           100 
      1  -0.175593D+02 -0.166875D+01 -0.239992D+02  0.656573D+01 -0.320536D+01
      2   0.316514D+02 -0.231585D+01  0.366631D+02 -0.110600D+02 -0.701034D-02
      3  -0.140921D+02  0.398460D+01 -0.126639D+02  0.449426D+01  0.321237D+01
      4  -0.366988D+01 -0.163597D+02 -0.205241D+01 -0.972617D+01  0.829788D+01
      5   0.603633D+00 -0.250551D+01 -0.183347D+01 -0.542694D+00 -0.733114D+01
      6  -0.116793D+02 -0.101404D+02 -0.160072D+02  0.242408D+01  0.112551D+02
               101           102           103           104           105 
      1  -0.262952D+01 -0.111701D+02 -0.815352D+01  0.142971D+02  0.137806D+02
      2   0.433192D+01  0.992651D+01  0.141466D+02 -0.191786D+02 -0.287068D+02
      3  -0.170241D+01  0.124359D+01 -0.599308D+01  0.488155D+01  0.149262D+02
      4  -0.441811D+01  0.102745D+02 -0.741840D+01  0.147206D+02  0.119167D+02
      5  -0.641487D+00 -0.435889D+01 -0.126888D+01  0.107790D+02  0.130650D+01
      6   0.825268D+01  0.911973D+01  0.882502D+01 -0.291486D+02 -0.938073D+01
               106           107           108           109           110 
      1  -0.147921D+02  0.178984D+02  0.640279D+00 -0.937809D+01  0.309247D+01
      2   0.141530D+02 -0.311495D+02 -0.511398D+01  0.131090D+02 -0.260414D+01
      3   0.639190D+00  0.132511D+02  0.447370D+01 -0.373087D+01 -0.488330D+00
      4   0.105944D+02  0.163567D+02  0.127971D+02  0.367218D+01  0.405315D+01
      5  -0.632028D+01  0.437221D+01  0.944423D-01  0.920221D+01  0.370478D+01
      6   0.126852D+02 -0.121655D+02 -0.247667D+01 -0.371259D+01 -0.637971D+01
               111           112           113           114           115 
      1   0.124027D+02  0.613093D+01 -0.158922D+02 -0.649346D+01  0.842656D+01
      2  -0.600041D+01 -0.908895D+01  0.152947D+02  0.146993D+02 -0.194619D+01
      3  -0.640229D+01  0.295802D+01  0.597543D+00 -0.820581D+01 -0.648037D+01
      4  -0.359524D+01  0.472258D+01 -0.713405D+01 -0.656376D+01 -0.522142D+01
      5  -0.178735D+01  0.405322D+01 -0.896435D+01 -0.297752D+01 -0.935975D+00
      6  -0.573264D+01 -0.515900D+01  0.111209D+02  0.410410D+01 -0.423961D+01
               116           117           118           119           120 
      1  -0.240497D+01  0.439087D+01 -0.398058D+01 -0.722653D+01  0.180820D+01
      2   0.687312D+01  0.475616D+01  0.499653D+01  0.660773D+01 -0.303865D+01
      3  -0.446814D+01 -0.914703D+01 -0.101595D+01  0.618794D+00  0.123046D+01
      4  -0.417806D+01 -0.314653D+01 -0.248155D+01  0.404856D+01  0.872538D-01
      5  -0.919322D+00 -0.113201D+01  0.529064D+00  0.139277D+01  0.743173D+00
      6   0.131565D+01 -0.739634D+01 -0.195757D+01 -0.223056D+01  0.130393D+01
               121           122           123           124           125 
      1  -0.571791D+01 -0.154275D+02  0.669217D+01  0.365837D+01  0.112760D+02
      2   0.135225D+01  0.287721D+02 -0.991677D+01 -0.162715D+01 -0.153269D+02
      3   0.436566D+01 -0.133446D+02  0.322460D+01 -0.203122D+01  0.405085D+01
      4   0.872983D+01 -0.208662D+02  0.543639D+01 -0.238574D+01  0.107118D+02
      5   0.134651D+00  0.668380D+01 -0.647586D+01  0.315387D+01 -0.914740D+01
      6  -0.662074D+00 -0.106930D+02  0.904909D+01 -0.137583D+01  0.125828D+02
               126           127           128           129           130 
      1  -0.644642D+01  0.359839D+02 -0.144871D+02 -0.115153D+02 -0.755949D+01
      2   0.773989D+01 -0.143610D+02  0.148950D+01  0.467061D+01 -0.369766D+01
      3  -0.129346D+01 -0.216229D+02  0.129976D+02  0.684465D+01  0.112571D+02
      4  -0.765416D+01 -0.352577D+02  0.244425D+02  0.147560D+02  0.234662D+02
      5   0.934245D+01 -0.212675D+02  0.120041D+02  0.145313D+02  0.960827D+01
      6  -0.114971D+02  0.111872D+02 -0.720565D+01 -0.732642D+01 -0.799276D+01
               131           132           133           134           135 
      1   0.477000D+01  0.287426D+01 -0.145090D+02  0.695305D+01  0.687887D+01
      2   0.716111D+01  0.114759D+01  0.667424D+01 -0.171363D+01 -0.414875D+01
      3  -0.119311D+02 -0.402186D+01  0.783471D+01 -0.523943D+01 -0.273012D+01
      4  -0.246637D+02 -0.108775D+02  0.212532D+02 -0.168307D+02 -0.164361D+02
      5  -0.955835D+01 -0.768293D+01  0.203601D+02 -0.139860D+02 -0.187227D+02
      6   0.777552D+01  0.793466D+01 -0.117444D+02  0.115891D+02  0.121375D+02
               136           137           138           139           140 
      1   0.230223D+02  0.900720D+01 -0.454029D+01  0.155700D+02  0.768171D+01
      2  -0.133228D+02 -0.473361D+01  0.312209D+01 -0.755753D+01 -0.304600D+01
      3  -0.969955D+01 -0.427359D+01  0.141820D+01 -0.801250D+01 -0.463572D+01
      4   0.799593D+01  0.709819D+01 -0.416029D+01  0.104347D+02  0.183916D+02
      5  -0.550645D+01 -0.428314D+01  0.752048D+01 -0.626143D+01 -0.854525D+01
      6  -0.142663D+01 -0.789317D+00  0.239237D+00 -0.994092D+00 -0.235436D+01
               141           142           143           144           145 
      1  -0.551221D+01 -0.114801D+02 -0.664505D+01  0.836305D+01  0.681519D+02
      2   0.237300D+01  0.718226D+01  0.523694D+01 -0.706851D+01 -0.392933D+02
      3   0.313920D+01  0.429788D+01  0.140811D+01 -0.129454D+01 -0.288587D+02
      4  -0.752799D+01 -0.750206D+01 -0.111881D+02  0.702199D+01 -0.172962D+02
      5   0.801056D+01  0.131655D+02  0.854946D+01 -0.147290D+02  0.305599D+02
      6   0.227103D+01  0.773898D+00  0.255838D+01 -0.145880D+01 -0.656847D+01
               146           147           148           149           150 
      1  -0.696437D+01  0.219054D+02 -0.876175D+01  0.833032D+01 -0.379033D+01
      2   0.288696D+01 -0.142312D+02  0.294201D+01 -0.364153D+01  0.176157D+01
      3   0.407740D+01 -0.767423D+01  0.581974D+01 -0.468880D+01  0.202876D+01
      4   0.102421D+02 -0.646698D+01  0.163019D+02 -0.719666D+01  0.516074D+01
      5  -0.488121D+01  0.187158D+02 -0.600935D+01  0.462370D+01 -0.318142D+01
      6   0.184872D+01 -0.354150D+01  0.410384D+01 -0.197112D+01  0.375580D+01
               151           152           153           154           155 
      1   0.314369D+02 -0.413570D+01  0.177508D+02  0.585348D+01 -0.410545D+01
      2  -0.222056D+02  0.226346D+01 -0.150260D+02  0.222660D+01  0.125449D+02
      3  -0.923129D+01  0.187224D+01 -0.272482D+01 -0.808008D+01 -0.843946D+01
      4  -0.107593D+02  0.449439D+01 -0.565105D+01  0.245516D+02  0.125307D+02
      5   0.288001D+02 -0.337011D+01  0.218064D+02  0.555691D+01  0.187478D+01
      6  -0.561728D+01  0.314535D+01 -0.475045D+01  0.991510D+01  0.444417D+01
               156           157           158           159           160 
      1   0.179098D+01 -0.361584D+01 -0.560450D+01 -0.997620D+00  0.666139D+00
      2   0.161119D+01  0.831804D+01  0.118400D+02  0.155418D+01  0.181420D+01
      3  -0.340217D+01 -0.470220D+01 -0.623545D+01 -0.556555D+00 -0.248034D+01
      4   0.965946D+01  0.727923D+01  0.100626D+02  0.310374D+01  0.151703D+02
      5   0.474067D+01  0.115111D+01  0.180376D+01  0.100431D+01  0.567071D+01
      6   0.878079D+01  0.257196D+01  0.268435D+01  0.507052D+01  0.106110D+02
               161           162           163           164           165 
      1  -0.237416D+01 -0.244408D+01 -0.431416D+01  0.481702D+00  0.981305D-01
      2   0.616551D+01  0.372631D+01  0.816587D+01  0.537851D+00 -0.169118D+00
      3  -0.379136D+01 -0.128224D+01 -0.385171D+01 -0.101955D+01  0.709874D-01
      4   0.748740D+01  0.998154D+01  0.235502D+01  0.138164D+02 -0.388201D+01
      5   0.283021D+01  0.530310D+01 -0.219031D+00 -0.278427D+01  0.308679D+01
      6   0.100779D+02  0.138764D+02 -0.373573D+01 -0.636880D+00  0.109742D+01
               166           167           168           169           170 
      1  -0.252117D+01 -0.427759D+02  0.155212D+02  0.234905D+01  0.241791D+02
      2   0.527759D+01  0.724642D+02 -0.234550D+02 -0.297594D+01 -0.335779D+02
      3  -0.275643D+01 -0.296883D+02  0.793382D+01  0.626895D+00  0.939882D+01
      4   0.906361D+01  0.692894D+01 -0.268580D+01 -0.331943D+01 -0.361804D+01
      5  -0.905555D+00 -0.818021D+00  0.727311D+00  0.264249D+01  0.153131D+01
      6  -0.230875D+01 -0.324298D+02  0.193739D+02  0.378315D+01  0.292877D+02
               171           172           173           174           175 
      1  -0.156137D+02  0.175220D+02  0.136870D+01  0.649274D+01  0.375083D+01
      2   0.183433D+02 -0.634231D+01 -0.850112D+01 -0.306734D+01 -0.714467D+01
      3  -0.272961D+01 -0.111797D+02  0.713243D+01 -0.342540D+01  0.339384D+01
      4   0.347133D+01 -0.259492D+02  0.116059D+02 -0.892347D+01  0.585879D+01
      5  -0.116262D+01  0.869128D+01 -0.128051D+01  0.716602D+01 -0.113105D+00
      6  -0.222628D+02 -0.925641D+01  0.193497D+01 -0.822670D+01  0.327620D+00
               176           177           178           179           180 
      1   0.682573D+00  0.997898D+00  0.840135D+01  0.298844D+00  0.287144D+01
      2   0.241872D+01 -0.662317D+00 -0.504490D+01 -0.333279D+01 -0.158935D+01
      3  -0.310129D+01 -0.335580D+00 -0.335646D+01  0.303395D+01 -0.128209D+01
      4  -0.752325D+01  0.110263D+01 -0.152241D+02  0.490589D+01 -0.101994D+02
      5   0.163735D+01 -0.446015D+00  0.926186D+01 -0.303173D+01  0.865759D+01
      6  -0.105138D+01  0.262851D+01 -0.108216D+02  0.647759D+01 -0.120751D+02
               181           182           183           184           185 
      1  -0.187202D+01  0.630734D+00  0.120765D+01  0.546291D+01 -0.324129D+02
      2   0.832808D+01 -0.776993D+01 -0.329521D+01 -0.143381D+02  0.595323D+02
      3  -0.645607D+01  0.713920D+01  0.208756D+01  0.887520D+01 -0.271194D+02
      4  -0.123865D+02  0.178344D+02  0.636143D+01  0.155987D+02 -0.271237D+02
      5  -0.273152D+01  0.451207D+01  0.458500D+01  0.311857D+01 -0.746284D+01
      6   0.580719D+01 -0.657827D+01 -0.498727D+01 -0.866352D+01  0.288931D+02
               186           187           188           189           190 
      1  -0.117581D+02  0.510685D+01 -0.179478D+02 -0.117019D+02  0.315830D+02
      2   0.194160D+02 -0.810425D+01  0.268838D+02  0.144351D+02 -0.191982D+02
      3  -0.765787D+01  0.299739D+01 -0.893602D+01 -0.273324D+01 -0.123848D+02
      4  -0.106537D+02  0.847127D+01 -0.157119D+02 -0.113647D+02 -0.524432D+00
      5  -0.461110D+01  0.566828D+01 -0.773433D+01 -0.677757D+01 -0.852399D+01
      6   0.178569D+02 -0.998499D+01  0.262388D+02  0.212144D+02 -0.254287D+00
               191           192           193           194           195 
      1  -0.747071D+01 -0.811564D+01 -0.150882D+02  0.897370D+01  0.686898D+01
      2   0.524938D+01  0.593506D+01  0.911896D+01 -0.704191D+01 -0.419621D+01
      3   0.222133D+01  0.218058D+01  0.596928D+01 -0.193179D+01 -0.267277D+01
      4   0.618096D+01  0.284578D+01  0.675465D+01 -0.108777D+02 -0.404136D+01
      5   0.442793D+01  0.920215D+01  0.640047D+01 -0.606047D+01 -0.619886D+01
      6   0.227303D+00  0.157636D+01  0.529802D+00  0.336256D+00  0.586556D+00
               196           197           198           199           200 
      1  -0.164179D+02  0.744063D+01  0.108135D+02  0.492970D+02  0.131704D+02
      2   0.118931D+02 -0.718572D+01 -0.952303D+01 -0.244189D+02 -0.379745D+01
      3   0.452482D+01 -0.254918D+00 -0.129052D+01 -0.248780D+02 -0.937295D+01
      4   0.359009D+01 -0.613812D+01 -0.233946D+01  0.323897D+02  0.174181D+02
      5   0.147736D+02 -0.535957D+01 -0.146568D+02  0.241320D+02  0.953700D+01
      6   0.242408D+01  0.958273D+00 -0.233909D+01  0.113014D+02  0.518397D+01
               201           202           203           204           205 
      1   0.156370D+02  0.118574D+02  0.748190D+01  0.502113D+01  0.215676D+02
      2  -0.872587D+01 -0.752504D+00  0.118790D+01 -0.111804D+01 -0.131122D+02
      3  -0.691116D+01 -0.111049D+02 -0.866981D+01 -0.390308D+01 -0.845542D+01
      4   0.125389D+02  0.231362D+02  0.182374D+02  0.933731D+01  0.204118D+02
      5   0.160961D+02  0.100394D+02  0.771903D+01  0.640849D+01  0.249356D+02
      6   0.677744D+01  0.764412D+01  0.587266D+01  0.636313D+01  0.113282D+02
               206           207           208           209           210 
      1   0.722874D+01  0.128611D+02 -0.707639D+01  0.846916D+01  0.359260D+01
      2  -0.307263D+01 -0.101339D+02  0.765454D+01 -0.112045D+02 -0.559481D+01
      3  -0.415611D+01 -0.272719D+01 -0.578156D+00  0.273530D+01  0.200221D+01
      4   0.110293D+02  0.129636D+02 -0.356680D+01  0.404612D+01  0.918069D+00
      5   0.908478D+01  0.198716D+02  0.443268D+00 -0.164843D+01  0.117596D-01
      6   0.699968D+01  0.101201D+02  0.345953D+01 -0.475111D+01 -0.367259D+01
               211           212           213           214           215 
      1   0.509415D+01 -0.203467D+02 -0.764156D+01  0.583956D+01 -0.138010D+02
      2  -0.409145D+01  0.340968D+02  0.104412D+02 -0.489843D+01  0.182295D+02
      3  -0.100270D+01 -0.137501D+02 -0.279969D+01 -0.941127D+00 -0.442852D+01
      4   0.644550D+01  0.108243D+02  0.926559D+00  0.255576D+01  0.357362D+01
      5  -0.832583D+00  0.333205D+01  0.410737D+01  0.118515D+01  0.617210D+01
      6  -0.291834D+01  0.106237D+02  0.979291D+01 -0.160238D+01  0.145657D+02
               216           217           218           219           220 
      1  -0.929527D+01  0.146310D+02  0.717345D+01 -0.377042D+01  0.150606D+01
      2   0.105907D+02  0.402382D+00  0.664100D+01 -0.182468D+01  0.105635D+02
      3  -0.129542D+01 -0.150334D+02 -0.138144D+02  0.559510D+01 -0.120695D+02
      4   0.320244D+01  0.301962D+02  0.276597D+02 -0.137643D+02  0.238237D+02
      5   0.612311D+01 -0.128661D+02 -0.112502D+02  0.104204D+02 -0.873365D+01
      6   0.135042D+02 -0.108612D+02 -0.102582D+02  0.798101D+01 -0.104090D+02
               221           222           223           224           225 
      1  -0.641940D+01  0.167922D+01 -0.309178D+01  0.112989D+01 -0.191624D+01
      2   0.249290D+02 -0.730701D+01 -0.315517D+01 -0.818771D+01  0.464532D+01
      3  -0.185096D+02  0.562778D+01  0.624695D+01  0.705782D+01 -0.272909D+01
      4   0.337754D+02 -0.138502D+02 -0.186731D+02 -0.222616D+02  0.170250D+02
      5  -0.121322D+02  0.833818D+01  0.134664D+02  0.144839D+02 -0.150253D+02
      6  -0.153149D+02  0.120525D+02  0.122346D+02  0.184793D+02 -0.164969D+02
               226           227           228           229           230 
      1  -0.597191D+01  0.976602D+01 -0.724677D+01  0.640582D+01 -0.141399D+02
      2   0.510769D+01 -0.933363D+01  0.450663D+01 -0.526284D+01  0.180770D+02
      3   0.864213D+00 -0.432393D+00  0.274014D+01 -0.114297D+01 -0.393708D+01
      4  -0.101313D+02  0.287823D+01 -0.244585D+01  0.733639D+01 -0.458538D+01
      5   0.336123D+01 -0.229481D+01  0.154368D+01 -0.161782D+01  0.213818D+01
      6  -0.468120D+01  0.121431D+02 -0.880083D+01  0.562144D+01 -0.135971D+02
               231           232           233           234           235 
      1   0.818250D+01 -0.278190D+01  0.577099D+01 -0.749949D+01  0.161776D+01
      2  -0.681428D+01  0.149082D+01 -0.242599D+01  0.143329D+01 -0.508580D+01
      3  -0.136822D+01  0.129108D+01 -0.334500D+01  0.606620D+01  0.346804D+01
      4   0.345289D+01 -0.136984D+01  0.394584D+01 -0.326330D+01  0.279946D+01
      5  -0.463638D+00  0.206018D+01 -0.107241D+01  0.308665D+00 -0.634782D+01
      6   0.978749D+01 -0.441178D+01  0.754931D+01 -0.906703D+01 -0.220203D+01
               236           237           238           239           240 
      1   0.274853D+00 -0.591936D+00 -0.323175D+00 -0.159496D+00 -0.134271D+01
      2   0.722752D+00  0.712998D+01  0.154569D+01 -0.373697D+01 -0.623719D+01
      3  -0.997605D+00 -0.653804D+01 -0.122251D+01  0.389646D+01  0.757989D+01
      4   0.258958D+01 -0.155010D+01 -0.219142D+01 -0.594857D+01  0.817705D+00
      5  -0.392577D+00  0.942538D+01  0.230029D+01 -0.131575D+00 -0.469266D+01
      6  -0.206368D+00  0.327441D+01  0.192264D+01  0.257585D+01 -0.415058D+00
               241           242           243           244           245 
      1   0.504653D+00  0.232500D+01 -0.112469D+02  0.106207D+02 -0.383110D+01
      2   0.525322D+01 -0.260052D+01 -0.183524D+02 -0.662840D+01  0.364317D+01
      3  -0.575788D+01  0.275522D+00  0.295993D+02 -0.399230D+01  0.187926D+00
      4  -0.339299D+01 -0.308489D+01  0.317212D+00 -0.784854D+01  0.827564D+01
      5   0.718361D+01  0.813417D+00 -0.162796D+02  0.781949D+01 -0.613766D+01
      6   0.277025D+01  0.476853D+01 -0.136620D+02 -0.341429D+01  0.274226D+01
               246           247           248           249           250 
      1   0.321889D+01 -0.966026D+01  0.198891D+01 -0.340209D+01 -0.286738D+00
      2  -0.382044D+01  0.876327D+01 -0.291861D+01  0.640905D+01 -0.259706D+01
      3   0.601548D+00  0.896985D+00  0.929705D+00 -0.300696D+01  0.288380D+01
      4  -0.519979D+01  0.632296D+01 -0.158356D+02  0.670590D+01 -0.469303D+01
      5   0.686145D+01 -0.122514D+02  0.834265D+01 -0.102510D+02  0.576307D+01
      6  -0.191733D+01  0.513024D+01 -0.673075D+01  0.447916D+01 -0.208294D+01
               251           252           253           254           255 
      1  -0.419176D+00 -0.861452D+00 -0.569069D+01  0.987580D+00  0.375226D+01
      2   0.254792D+01 -0.521037D+01  0.239254D+01  0.185030D+00  0.183133D+01
      3  -0.212874D+01  0.607182D+01  0.329815D+01 -0.117261D+01 -0.558360D+01
      4   0.363496D+01 -0.507785D+01 -0.368986D+01 -0.223718D+00 -0.101088D+01
      5  -0.542196D+01  0.865984D+01 -0.256635D+01 -0.714979D+00 -0.837066D-01
      6   0.384317D+01 -0.269851D+01  0.783444D+00 -0.404538D+00 -0.207542D+01
               256           257           258           259           260 
      1   0.269775D+01 -0.402249D+01 -0.704175D+01  0.283652D+01 -0.409160D+01
      2  -0.174683D+01 -0.491376D-01 -0.127162D+01 -0.410780D+01 -0.155129D+01
      3  -0.950921D+00  0.407162D+01  0.831336D+01  0.127128D+01  0.564288D+01
      4   0.426964D+01  0.361722D+01  0.370577D+01  0.243195D+01  0.360431D+01
      5   0.205553D+01  0.392288D+01  0.589901D+01  0.586061D+01  0.315374D+01
      6   0.163168D+01  0.556893D+01  0.912269D+01  0.119356D+01  0.611560D+01
               261           262           263           264           265 
      1  -0.177082D+02  0.201147D+02  0.353266D+01 -0.708490D+01  0.188675D+01
      2  -0.119187D+02 -0.180438D+02 -0.635211D+01  0.963625D+01 -0.399630D+01
      3   0.296269D+02 -0.207086D+01  0.281945D+01 -0.255135D+01  0.210955D+01
      4   0.210282D+01 -0.121978D+02  0.583547D+01  0.604688D+01  0.391636D+00
      5   0.174916D+02 -0.185666D+02  0.172837D+01  0.117261D+02 -0.425777D+01
      6   0.121102D+02  0.592451D+01 -0.234560D+01 -0.541435D+01  0.316734D+00
               266           267           268           269           270 
      1   0.502228D+01 -0.165407D+00 -0.409536D+01  0.506839D+00  0.202100D+01
      2  -0.400351D+01  0.185377D+01  0.763071D+01 -0.106011D+01 -0.807829D+01
      3  -0.101877D+01 -0.168836D+01 -0.353534D+01  0.553268D+00  0.605729D+01
      4   0.865006D+00  0.964857D+00  0.192818D+01  0.221442D+00 -0.222389D+01
      5  -0.745571D-03  0.291428D+01  0.853929D+01  0.672326D+00 -0.799856D+01
      6  -0.157514D+01 -0.401349D+00 -0.266511D+01  0.105725D+01  0.424794D+01
               271           272           273           274           275 
      1  -0.300975D+00 -0.617576D+01 -0.821517D+01 -0.157065D+01 -0.323051D+01
      2  -0.443854D+01  0.569570D+01 -0.159816D+01  0.131056D+01  0.611074D+00
      3   0.473952D+01  0.480062D+00  0.981333D+01  0.260088D+00  0.261944D+01
      4   0.428827D+01 -0.189176D+01  0.275170D+01 -0.117619D+00  0.173625D+01
      5   0.180444D+01 -0.832250D+00  0.264865D+01 -0.334289D+00  0.174982D+01
      6   0.184614D+01  0.568576D+01  0.860090D+01  0.229201D+01  0.358377D+01
               276           277           278           279           280 
      1  -0.282394D+01 -0.235866D+01 -0.673248D+01 -0.168858D+02  0.130515D+02
      2   0.929616D+00 -0.744743D+00  0.186387D+01 -0.127450D+02 -0.122623D+02
      3   0.189432D+01  0.310340D+01  0.486861D+01  0.296308D+02 -0.789223D+00
      4   0.136716D+01  0.335548D+01 -0.153763D+01  0.290399D+01  0.184207D+02
      5   0.629655D+00  0.382269D+01 -0.843577D+00 -0.372593D+01 -0.161413D+02
      6   0.637804D+01  0.111555D+01  0.815699D+01  0.209598D+02 -0.935012D+01
               281           282           283           284           285 
      1  -0.360389D+01 -0.282694D+01  0.463622D+00  0.344824D+01 -0.118878D+01
      2   0.636864D+01  0.571506D+01  0.158858D+01 -0.114962D+01  0.204145D+00
      3  -0.276475D+01 -0.288812D+01 -0.205220D+01 -0.229862D+01  0.984632D+00
      4   0.710891D+01 -0.940608D+01  0.334330D+01  0.304725D+01 -0.109394D+01
      5  -0.520958D+01  0.103342D+02 -0.925060D-01 -0.717031D+00 -0.898065D-01
      6  -0.556633D+01  0.822648D+01 -0.147201D+01  0.416675D+00  0.999553D+00
               286           287           288           289           290 
      1  -0.218638D+01 -0.110253D+01  0.280887D+00 -0.621237D+00  0.671125D+01
      2   0.546177D+01  0.253837D+01 -0.632967D+01 -0.417273D+01 -0.679644D+01
      3  -0.327539D+01 -0.143584D+01  0.604878D+01  0.479397D+01  0.851821D-01
      4  -0.435598D+01 -0.134457D+01  0.442131D+01 -0.317084D+01  0.107445D+01
      5   0.756733D+01  0.104066D+01 -0.665860D+01  0.245181D+01 -0.682130D+00
      6   0.437677D+01  0.203369D+01 -0.614207D+01 -0.340648D+01  0.560639D+01
               291           292           293           294           295 
      1  -0.671726D+01  0.182597D+01 -0.165662D-02  0.190942D+00 -0.235477D+01
      2  -0.326430D+01 -0.214076D+01 -0.256988D+01 -0.878929D+00 -0.188372D+01
      3   0.998156D+01  0.314785D+00  0.257154D+01  0.687987D+00  0.423849D+01
      4  -0.443395D+01  0.397581D+00 -0.200912D+01  0.101202D+01 -0.341104D+01
      5   0.515391D+01 -0.300496D+00  0.234933D+01 -0.948000D+00  0.416272D+01
      6  -0.890608D+01  0.220043D+01 -0.930129D+00  0.386273D+01 -0.216797D+01
               296           297           298           299           300 
      1   0.652944D+01 -0.151832D+02  0.374438D+01  0.188693D+01  0.335950D+00
      2  -0.261734D+01 -0.144386D+02 -0.340139D+00 -0.564745D+00 -0.154553D+00
      3  -0.391210D+01  0.296218D+02 -0.340424D+01 -0.132218D+01 -0.181398D+00
      4  -0.103386D+00 -0.355162D+01  0.663513D+01  0.684755D+01  0.395652D+01
      5  -0.215733D+00  0.172275D+01  0.279306D+01  0.430736D+01  0.371735D+01
      6   0.779766D+01 -0.211938D+02  0.248445D+01  0.260404D+01  0.170982D+01
               301           302           303           304           305 
      1   0.793676D+01 -0.423458D+01 -0.460154D+00 -0.225487D+01 -0.219827D+01
      2  -0.591580D+01  0.387192D+01 -0.261567D+01  0.586183D-02 -0.603560D+00
      3  -0.202096D+01  0.362657D+00  0.307582D+01  0.224901D+01  0.280183D+01
      4   0.783368D+01  0.194140D+02  0.957055D+01  0.351656D+01  0.495947D+01
      5   0.961089D+01  0.102534D+02  0.100573D+02  0.379644D+01  0.541606D+01
      6   0.645358D+01  0.114251D+02  0.763764D+01  0.207348D+01  0.582287D+01
               306           307           308           309           310 
      1  -0.364808D+01 -0.534423D+01 -0.171131D+01  0.177938D+01 -0.539006D+01
      2  -0.243706D+01  0.252381D+01  0.865764D+00  0.148623D+01  0.476614D+01
      3   0.608513D+01  0.282042D+01  0.845543D+00 -0.326561D+01  0.623926D+00
      4   0.549498D+01  0.330496D+00  0.778160D+00  0.118237D+00  0.379293D+01
      5   0.770086D+01 -0.140773D+01 -0.948554D+00  0.143982D+01 -0.414097D+01
      6   0.481584D+01 -0.181375D+01  0.468456D+00  0.674605D-01  0.173437D+01
               311           312           313           314           315 
      1  -0.362801D+01  0.549643D+01  0.292830D+01  0.300372D+01 -0.163033D+02
      2  -0.916121D+00  0.396895D+01 -0.558394D+01  0.214004D+01 -0.133038D+02
      3   0.454413D+01 -0.946538D+01  0.265564D+01 -0.514376D+01  0.296071D+02
      4  -0.323410D+01  0.483531D+01 -0.137698D+01  0.353858D+01 -0.325591D+01
      5   0.433067D+01 -0.791503D+01  0.693920D+01 -0.293673D+01  0.199752D+02
      6  -0.400705D+01  0.759909D+01 -0.967285D+00  0.503785D+01 -0.728967D+01
               316           317           318           319           320 
      1  -0.578006D+01 -0.771760D+01 -0.517229D+01 -0.701858D+01 -0.187544D+02
      2   0.560891D+01  0.620553D+01  0.286754D+01  0.479787D+01  0.219739D+02
      3   0.171148D+00  0.151208D+01  0.230475D+01  0.222071D+01 -0.321955D+01
      4   0.514157D+01  0.209852D+00 -0.557950D+00  0.589802D+01 -0.294124D+01
      5   0.203311D+01  0.363133D-01 -0.185940D+00  0.102584D+01 -0.134463D+01
      6   0.145715D+01  0.911248D+01  0.618151D+01  0.263147D+01  0.176337D+02
               321           322           323           324           325 
      1  -0.105852D+02 -0.124510D+01 -0.775857D+01 -0.853603D+01  0.226483D+01
      2   0.855671D+01  0.844957D+00  0.419220D+01  0.245576D+01 -0.522210D+01
      3   0.202847D+01  0.400140D+00  0.356637D+01  0.608027D+01  0.295727D+01
      4  -0.851187D+00 -0.217505D+00  0.142226D+01  0.647842D+00 -0.568864D+00
      5  -0.216533D+01  0.107435D+01 -0.631724D+00 -0.200184D+01 -0.568846D+01
      6   0.115541D+02  0.271103D+01  0.855269D+01  0.886568D+01  0.310374D-01
               326           327           328           329           330 
      1  -0.105822D+00 -0.115156D+01  0.274959D+01 -0.300818D+01  0.997660D+00
      2  -0.649350D+00  0.555651D+01 -0.372853D+01 -0.140469D+01  0.800061D+01
      3   0.755171D+00 -0.440495D+01  0.978945D+00  0.441287D+01 -0.899827D+01
      4   0.624739D+00 -0.408419D+00 -0.319309D+01  0.585032D+01 -0.607041D+00
      5  -0.119944D+01  0.847411D+01 -0.435150D+01 -0.496819D+00  0.703119D+01
      6   0.575345D+00 -0.948902D+00  0.195070D+01 -0.204923D+01  0.568232D+00
               331           332           333 
      1  -0.693117D+00 -0.684820D+00 -0.115385D+02
      2   0.621193D+01  0.241617D+01 -0.180722D+02
      3  -0.551881D+01 -0.173135D+01  0.296107D+02
      4   0.271943D+01 -0.331176D+01  0.146653D+01
      5   0.793389D+01  0.148113D-01 -0.192374D+02
      6  -0.195155D+01  0.404340D+01  0.906459D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 21:39:25 2021, MaxMem= 10737418240 cpu:          121271.7 elap:            7587.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.80808 -14.80808 -14.80807 -14.80805 -14.80805
 Alpha  occ. eigenvalues --  -14.80805 -10.63082 -10.63080 -10.63078 -10.63060
 Alpha  occ. eigenvalues --  -10.63057 -10.63056  -3.67172  -2.44560  -2.44558
 Alpha  occ. eigenvalues --   -2.44118  -1.37312  -1.36205  -1.36204  -1.33728
 Alpha  occ. eigenvalues --   -1.33726  -1.33634  -1.15767  -1.15548  -1.15545
 Alpha  occ. eigenvalues --   -1.04064  -1.03475  -1.03473  -0.96857  -0.96852
 Alpha  occ. eigenvalues --   -0.95510  -0.94952  -0.94950  -0.94163  -0.94144
 Alpha  occ. eigenvalues --   -0.92873  -0.92872  -0.87124  -0.87120  -0.86438
 Alpha  occ. eigenvalues --   -0.86413  -0.85726  -0.85725  -0.84294  -0.82905
 Alpha  occ. eigenvalues --   -0.82904  -0.79033  -0.79032  -0.77849  -0.77799
 Alpha  occ. eigenvalues --   -0.77797  -0.76779  -0.75033  -0.74140  -0.74140
 Alpha  occ. eigenvalues --   -0.71040  -0.71039  -0.70765
 Alpha virt. eigenvalues --   -0.47634  -0.47626  -0.40929  -0.39037  -0.37891
 Alpha virt. eigenvalues --   -0.37890  -0.35399  -0.35395  -0.34669  -0.32610
 Alpha virt. eigenvalues --   -0.32606  -0.31752  -0.31750  -0.31368  -0.29640
 Alpha virt. eigenvalues --   -0.29113  -0.28947  -0.28946  -0.27469  -0.27467
 Alpha virt. eigenvalues --   -0.27316  -0.26755  -0.26050  -0.26047  -0.25294
 Alpha virt. eigenvalues --   -0.25093  -0.25093  -0.24230  -0.23052  -0.23048
 Alpha virt. eigenvalues --   -0.23015  -0.22203  -0.22199  -0.22033  -0.22031
 Alpha virt. eigenvalues --   -0.21289  -0.21122  -0.20878  -0.20638  -0.20637
 Alpha virt. eigenvalues --   -0.20157  -0.19411  -0.19405  -0.18606  -0.18604
 Alpha virt. eigenvalues --   -0.18430  -0.18428  -0.18016  -0.17772  -0.17697
 Alpha virt. eigenvalues --   -0.17696  -0.16952  -0.16451  -0.16265  -0.16262
 Alpha virt. eigenvalues --   -0.15889  -0.15887  -0.15029  -0.14900  -0.14509
 Alpha virt. eigenvalues --   -0.14507  -0.14317  -0.14094  -0.14091  -0.13798
 Alpha virt. eigenvalues --   -0.13791  -0.13472  -0.13112  -0.12981  -0.12979
 Alpha virt. eigenvalues --   -0.12379  -0.12375  -0.12286  -0.12205  -0.11729
 Alpha virt. eigenvalues --   -0.11728  -0.10894  -0.10495  -0.10492  -0.10216
 Alpha virt. eigenvalues --   -0.09930  -0.09929  -0.09633  -0.09214  -0.09211
 Alpha virt. eigenvalues --   -0.08293  -0.08290  -0.08101  -0.07527  -0.07445
 Alpha virt. eigenvalues --   -0.07443  -0.07019  -0.06322  -0.06322  -0.06150
 Alpha virt. eigenvalues --   -0.04961  -0.04956  -0.04317  -0.04312  -0.03738
 Alpha virt. eigenvalues --   -0.03245  -0.03243  -0.02835  -0.02832  -0.02808
 Alpha virt. eigenvalues --   -0.01977  -0.01633  -0.00973  -0.00968  -0.00964
 Alpha virt. eigenvalues --    0.00132   0.00134   0.01054   0.01563   0.01567
 Alpha virt. eigenvalues --    0.02550   0.02733   0.02813   0.02816   0.03042
 Alpha virt. eigenvalues --    0.03042   0.04290   0.04295   0.04572   0.04723
 Alpha virt. eigenvalues --    0.04727   0.05737   0.06135   0.06249   0.06254
 Alpha virt. eigenvalues --    0.06399   0.06429   0.06440   0.07381   0.07555
 Alpha virt. eigenvalues --    0.07561   0.09004   0.09232   0.09416   0.09419
 Alpha virt. eigenvalues --    0.10022   0.10980   0.10989   0.11961   0.12567
 Alpha virt. eigenvalues --    0.12570   0.12722   0.12732   0.13339   0.13665
 Alpha virt. eigenvalues --    0.13743   0.13755   0.14123   0.14443   0.14448
 Alpha virt. eigenvalues --    0.14701   0.15985   0.15995   0.17497   0.17514
 Alpha virt. eigenvalues --    0.18134   0.18177   0.19141   0.19144   0.19193
 Alpha virt. eigenvalues --    0.19525   0.19528   0.20242   0.20243   0.21481
 Alpha virt. eigenvalues --    0.22322   0.22618   0.22620   0.24825   0.24832
 Alpha virt. eigenvalues --    0.25487   0.25493   0.25991   0.26134   0.26137
 Alpha virt. eigenvalues --    0.27166   0.28106   0.28114   0.28348   0.28355
 Alpha virt. eigenvalues --    0.29029   0.29530   0.29537   0.29662   0.29803
 Alpha virt. eigenvalues --    0.29812   0.30411   0.31391   0.31665   0.31673
 Alpha virt. eigenvalues --    0.32482   0.32839   0.33354   0.33362   0.34211
 Alpha virt. eigenvalues --    0.34778   0.34789   0.35750   0.35891   0.36132
 Alpha virt. eigenvalues --    0.36677   0.36685   0.37649   0.37652   0.39137
 Alpha virt. eigenvalues --    0.39139   0.39228   0.39238   0.39296   0.40316
 Alpha virt. eigenvalues --    0.41290   0.41297   0.42105   0.42119   0.44641
 Alpha virt. eigenvalues --    0.45332   0.45336   0.45560   0.46424   0.46430
 Alpha virt. eigenvalues --    0.47121   0.47175   0.48062   0.48072   0.48273
 Alpha virt. eigenvalues --    0.48362   0.49201   0.49214   0.51964   0.51968
 Alpha virt. eigenvalues --    0.52271   0.52561   0.52564   0.52880   0.52888
 Alpha virt. eigenvalues --    0.54635   0.54642   0.55041   0.55748   0.56224
 Alpha virt. eigenvalues --    0.56240   0.58759   0.58764   0.59567   0.59941
 Alpha virt. eigenvalues --    0.62245   0.62252   0.63095   0.63105   0.65068
 Alpha virt. eigenvalues --    0.65607   0.66163   0.66171   0.68611   0.68676
 Alpha virt. eigenvalues --    0.68784   0.68790   0.70590   0.70595   0.72245
 Alpha virt. eigenvalues --    0.72253   0.73977   0.74849   0.75001   0.75009
 Alpha virt. eigenvalues --    0.77641   0.77661   0.79335   0.79704   0.79710
 Alpha virt. eigenvalues --    0.82363   0.82368   0.83964   0.83971   0.84544
 Alpha virt. eigenvalues --    0.86419   0.86447   0.89396   0.89965   0.89982
 Alpha virt. eigenvalues --    0.94033   0.94044   0.94117   0.94693   0.96414
 Alpha virt. eigenvalues --    0.96448   0.99452   0.99468   1.04709   1.04737
 Alpha virt. eigenvalues --    1.06450   1.06463   1.08103   1.08120   1.09914
 Alpha virt. eigenvalues --    1.09998   1.10107   1.10111   1.14532   1.17698
 Alpha virt. eigenvalues --    1.19110   1.19122   1.19954   1.19971   1.21707
 Alpha virt. eigenvalues --    1.21988   1.21991   1.25139   1.25294   1.25315
 Alpha virt. eigenvalues --    1.27348   1.27357   1.29470   1.29770   1.29798
 Alpha virt. eigenvalues --    1.31205   1.33197   1.33211   1.36694   1.37222
 Alpha virt. eigenvalues --    1.37233   1.38525   1.38671   1.38733   1.38745
 Alpha virt. eigenvalues --    1.40223   1.40227   1.41864   1.41900   1.41908
 Alpha virt. eigenvalues --    1.42228   1.44093   1.44113   1.45029   1.45914
 Alpha virt. eigenvalues --    1.48557   1.48570   1.49139   1.49145   1.50930
 Alpha virt. eigenvalues --    1.50931   1.53700   1.53702   1.53820   1.54883
 Alpha virt. eigenvalues --    1.55042   1.55055   1.56031   1.56882   1.56895
 Alpha virt. eigenvalues --    1.58030   1.58042   1.59383   1.60899   1.60904
 Alpha virt. eigenvalues --    1.61760   1.63094   1.63099   1.64844   1.64857
 Alpha virt. eigenvalues --    1.66061   1.66350   1.69266   1.69272   1.71107
 Alpha virt. eigenvalues --    1.73360   1.73478   1.73489   1.75785   1.75791
 Alpha virt. eigenvalues --    1.75931   1.77575   1.77583   1.77763   1.79208
 Alpha virt. eigenvalues --    1.79224   1.79941   1.81894   1.81906   1.82321
 Alpha virt. eigenvalues --    1.84494   1.84500   1.85621   1.85749   1.87907
 Alpha virt. eigenvalues --    1.89176   1.89177   1.90698   1.90700   1.92175
 Alpha virt. eigenvalues --    1.95533   1.95580   1.96814   1.99059   1.99974
 Alpha virt. eigenvalues --    1.99978   2.00797   2.00809   2.02921   2.02956
 Alpha virt. eigenvalues --    2.03132   2.05617   2.05633   2.07533   2.09018
 Alpha virt. eigenvalues --    2.09041   2.10348   2.12878   2.14064   2.14068
 Alpha virt. eigenvalues --    2.15883   2.15902   2.16889   2.16900   2.17011
 Alpha virt. eigenvalues --    2.18554   2.19565   2.19587   2.20331   2.21687
 Alpha virt. eigenvalues --    2.21700   2.21749   2.22459   2.22464   2.23746
 Alpha virt. eigenvalues --    2.23770   2.23928   2.26339   2.27103   2.27126
 Alpha virt. eigenvalues --    2.28238   2.28606   2.28608   2.29555   2.29721
 Alpha virt. eigenvalues --    2.31874   2.31882   2.34059   2.34206   2.34214
 Alpha virt. eigenvalues --    2.36479   2.36496   2.40637   2.42339   2.42348
 Alpha virt. eigenvalues --    2.46388   2.46401   2.46476   2.48572   2.52097
 Alpha virt. eigenvalues --    2.52107   2.52619   2.58113   2.60138   2.60168
 Alpha virt. eigenvalues --    2.67592   2.67613   2.68131   2.70648   2.70655
 Alpha virt. eigenvalues --    2.73781   2.75594   2.83193   2.83210   2.83265
 Alpha virt. eigenvalues --    2.84447   2.84643   2.84682   2.88833   2.95618
 Alpha virt. eigenvalues --    2.95653   2.99767   2.99782   2.99950   3.05825
 Alpha virt. eigenvalues --    3.05840   3.14956   3.32302   3.32406   3.81526
 Alpha virt. eigenvalues --    5.79096   5.79512  45.02575
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.768253  -0.118803  -0.028587  -1.566702   1.298669  -0.004558
     2  C   -0.118803   5.765341   1.301208  -1.575241  -0.027364   0.108666
     3  N   -0.028587   1.301208  10.347727  -9.038368   0.889101   0.609202
     4  Rh  -1.566702  -1.575241  -9.038368  77.974805  -9.032766  -9.034358
     5  N    1.298669  -0.027364   0.889101  -9.032766  10.344545   0.714009
     6  N   -0.004558   0.108666   0.609202  -9.034358   0.714009  10.348065
     7  C   -0.067817   0.041907   0.108433  -1.574858   0.069579   1.300999
     8  C    0.012747  -0.067654  -0.004317  -1.569904   0.116299  -0.027676
     9  N    0.116157   0.068846   0.712033  -9.027089   0.991205   0.888252
    10  N    0.108376  -0.003179   0.715394  -9.049819   0.611162   0.995406
    11  C    0.042114  -0.067963   0.067945  -1.571414   0.108527   0.117806
    12  C   -0.068002   0.013961   0.119067  -1.577305  -0.003014   0.068198
    13  N    0.068225   0.118665   0.998045  -9.050283   0.717680   0.713180
    14  H    0.024804  -0.007138  -0.034431   0.141312   0.007237   0.050285
    15  H   -0.008048   0.005535   0.021510   0.687162  -0.027185  -0.079422
    16  H    0.001204   0.002467  -0.009086   0.136759  -0.034193  -0.042515
    17  H    0.004846  -0.001740   0.000989   0.690197   0.030646  -0.648686
    18  H    0.002422   0.001313  -0.034016   0.140842  -0.009069   0.007762
    19  H   -0.001729   0.004784   0.030525   0.687944   0.000914  -0.027495
    20  H   -0.007367   0.025292   0.008277   0.137928  -0.034627  -0.034042
    21  H    0.005636  -0.008206  -0.027719   0.689663   0.021604   0.030576
    22  H   -0.121820  -0.545488  -0.042411   0.136582   0.051031  -0.009055
    23  H    0.207656  -0.476574  -0.648646   0.690151  -0.079837   0.000976
    24  H   -0.548571  -0.120124   0.049288   0.143603  -0.046007  -0.034422
    25  H   -0.475360   0.207429  -0.078956   0.685459  -0.644808   0.021522
    26  H    0.003691   0.007867   0.018262  -0.038719   0.233864  -0.031107
    27  H   -0.122960   0.029257  -0.054324  -0.091944   0.306226   0.027682
    28  H    0.007920   0.003581   0.234202  -0.039716   0.018382   0.013868
    29  H    0.028799  -0.122605   0.306032  -0.091968  -0.054158   0.005409
    30  H    0.026168   0.013643  -0.024808  -0.039984  -0.031064   0.005528
    31  H    0.000831   0.009020   0.054098  -0.090732   0.027662   0.044449
    32  H    0.004349  -0.003899   0.005489  -0.039029   0.013818  -0.025084
    33  H   -0.004580   0.018228   0.044372  -0.091403   0.005414   0.054195
    34  H   -0.003921   0.004373   0.013882  -0.038640   0.005445   0.233413
    35  H    0.018190  -0.004513   0.005458  -0.093110   0.044864   0.306542
    36  H    0.013391   0.026113  -0.031067  -0.038255  -0.025116   0.018321
    37  H    0.009074   0.000803   0.027725  -0.092683   0.054194  -0.054178
               7          8          9         10         11         12
     1  C   -0.067817   0.012747   0.116157   0.108376   0.042114  -0.068002
     2  C    0.041907  -0.067654   0.068846  -0.003179  -0.067963   0.013961
     3  N    0.108433  -0.004317   0.712033   0.715394   0.067945   0.119067
     4  Rh  -1.574858  -1.569904  -9.027089  -9.049819  -1.571414  -1.577305
     5  N    0.069579   0.116299   0.991205   0.611162   0.108527  -0.003014
     6  N    1.300999  -0.027676   0.888252   0.995406   0.117806   0.068198
     7  C    5.765213  -0.117627  -0.027208   0.117888   0.013500  -0.067916
     8  C   -0.117627   5.766863   1.299593   0.069053  -0.068075   0.042058
     9  N   -0.027208   1.299593  10.343086   0.717219  -0.003798   0.108526
    10  N    0.117888   0.069053   0.717219  10.351497   1.300090  -0.026730
    11  C    0.013500  -0.068075  -0.003798   1.300090   5.768770  -0.119874
    12  C   -0.067916   0.042058   0.108526  -0.026730  -0.119874   5.768197
    13  N   -0.003685   0.108198   0.609974   0.891225  -0.028196   1.301939
    14  H   -0.120635  -0.547622  -0.044737  -0.034138   0.001301   0.002414
    15  H    0.207462  -0.475425  -0.646336   0.030512   0.004793  -0.001723
    16  H   -0.545321  -0.121723   0.051057   0.007939   0.025220  -0.007344
    17  H   -0.476446   0.207552  -0.079828  -0.027550  -0.008147   0.005620
    18  H    0.025073  -0.007261  -0.034500  -0.044792  -0.546953  -0.121092
    19  H   -0.008137   0.005596   0.021579  -0.646663  -0.476399   0.207721
    20  H    0.001291   0.002443  -0.009027   0.050742  -0.121976  -0.545821
    21  H    0.004798  -0.001731   0.000940  -0.079754   0.208289  -0.477023
    22  H    0.002483   0.001201  -0.034135  -0.034642  -0.007356   0.025225
    23  H   -0.001741   0.004838   0.030669   0.021617   0.005630  -0.008167
    24  H   -0.007077   0.024684   0.007100  -0.009108   0.002411   0.001313
    25  H    0.005518  -0.008045  -0.027134   0.000916  -0.001725   0.004779
    26  H    0.026077   0.013525  -0.025152   0.013796   0.004363  -0.003909
    27  H    0.000825   0.009085   0.054168   0.005439  -0.004549   0.018240
    28  H    0.004365  -0.003932   0.005531  -0.030933   0.026188   0.013628
    29  H   -0.004510   0.018144   0.044644   0.027731   0.000824   0.009050
    30  H   -0.003919   0.004350   0.013853   0.018432   0.007863   0.003699
    31  H    0.018188  -0.004555   0.005403  -0.054413   0.028972  -0.122735
    32  H    0.013666   0.026082  -0.031016   0.233620   0.003666   0.007834
    33  H    0.009048   0.000873   0.027682   0.305760  -0.122756   0.029067
    34  H    0.003404   0.008101   0.018415  -0.024979   0.013463   0.026131
    35  H   -0.122632   0.028864  -0.054049   0.054266   0.009068   0.000832
    36  H    0.008053   0.003423   0.233634   0.005447  -0.003918   0.004364
    37  H    0.029259  -0.123030   0.306727   0.044803   0.018229  -0.004522
              13         14         15         16         17         18
     1  C    0.068225   0.024804  -0.008048   0.001204   0.004846   0.002422
     2  C    0.118665  -0.007138   0.005535   0.002467  -0.001740   0.001313
     3  N    0.998045  -0.034431   0.021510  -0.009086   0.000989  -0.034016
     4  Rh  -9.050283   0.141312   0.687162   0.136759   0.690197   0.140842
     5  N    0.717680   0.007237  -0.027185  -0.034193   0.030646  -0.009069
     6  N    0.713180   0.050285  -0.079422  -0.042515  -0.648686   0.007762
     7  C   -0.003685  -0.120635   0.207462  -0.545321  -0.476446   0.025073
     8  C    0.108198  -0.547622  -0.475425  -0.121723   0.207552  -0.007261
     9  N    0.609974  -0.044737  -0.646336   0.051057  -0.079828  -0.034500
    10  N    0.891225  -0.034138   0.030512   0.007939  -0.027550  -0.044792
    11  C   -0.028196   0.001301   0.004793   0.025220  -0.008147  -0.546953
    12  C    1.301939   0.002414  -0.001723  -0.007344   0.005620  -0.121092
    13  N   10.351932  -0.009117   0.000947  -0.034549   0.021580   0.049893
    14  H   -0.009117   2.797057  -0.600483   0.216839  -0.184727  -0.001105
    15  H    0.000947  -0.600483   2.502111  -0.184813  -0.012139   0.000259
    16  H   -0.034549   0.216839  -0.184813   2.796716  -0.600754  -0.002539
    17  H    0.021580  -0.184727  -0.012139  -0.600754   2.503176   0.000271
    18  H    0.049893  -0.001105   0.000259  -0.002539   0.000271   2.796564
    19  H   -0.079298   0.000151   0.000116   0.000299  -0.000079  -0.600247
    20  H   -0.043011   0.000069  -0.000472  -0.001101   0.000153   0.216883
    21  H   -0.647947  -0.000472   0.000103   0.000244   0.000116  -0.184723
    22  H    0.008184  -0.001098   0.000150   0.000074  -0.000471  -0.001097
    23  H   -0.027636   0.000256   0.000113  -0.000472   0.000102   0.000150
    24  H   -0.034063  -0.002471   0.000283  -0.001099   0.000265   0.000072
    25  H    0.030513   0.000297  -0.000084   0.000149   0.000114  -0.000474
    26  H    0.005470   0.005894   0.000943  -0.004790  -0.001220  -0.000102
    27  H    0.044510   0.000228  -0.000277  -0.003820   0.005021   0.000181
    28  H   -0.024768  -0.001624   0.000635  -0.000109  -0.000337  -0.004814
    29  H    0.054176  -0.003561   0.001598   0.000185  -0.000433  -0.003814
    30  H    0.234474  -0.000112  -0.000341  -0.001625   0.000630  -0.001918
    31  H    0.305436   0.000189  -0.000440  -0.003556   0.001609  -0.029447
    32  H    0.018235  -0.004824  -0.001228   0.006018   0.000974  -0.082840
    33  H   -0.054341  -0.003819   0.005029   0.000206  -0.000273   0.042351
    34  H   -0.031000  -0.001944   0.006562  -0.082928   0.017833   0.005919
    35  H    0.027849  -0.029478   0.008904   0.042335  -0.017810   0.000217
    36  H    0.013829  -0.082920   0.017814  -0.001923   0.006560  -0.001623
    37  H    0.005482   0.042407  -0.018026  -0.029471   0.008907  -0.003559
              19         20         21         22         23         24
     1  C   -0.001729  -0.007367   0.005636  -0.121820   0.207656  -0.548571
     2  C    0.004784   0.025292  -0.008206  -0.545488  -0.476574  -0.120124
     3  N    0.030525   0.008277  -0.027719  -0.042411  -0.648646   0.049288
     4  Rh   0.687944   0.137928   0.689663   0.136582   0.690151   0.143603
     5  N    0.000914  -0.034627   0.021604   0.051031  -0.079837  -0.046007
     6  N   -0.027495  -0.034042   0.030576  -0.009055   0.000976  -0.034422
     7  C   -0.008137   0.001291   0.004798   0.002483  -0.001741  -0.007077
     8  C    0.005596   0.002443  -0.001731   0.001201   0.004838   0.024684
     9  N    0.021579  -0.009027   0.000940  -0.034135   0.030669   0.007100
    10  N   -0.646663   0.050742  -0.079754  -0.034642   0.021617  -0.009108
    11  C   -0.476399  -0.121976   0.208289  -0.007356   0.005630   0.002411
    12  C    0.207721  -0.545821  -0.477023   0.025225  -0.008167   0.001313
    13  N   -0.079298  -0.043011  -0.647947   0.008184  -0.027636  -0.034063
    14  H    0.000151   0.000069  -0.000472  -0.001098   0.000256  -0.002471
    15  H    0.000116  -0.000472   0.000103   0.000150   0.000113   0.000283
    16  H    0.000299  -0.001101   0.000244   0.000074  -0.000472  -0.001099
    17  H   -0.000079   0.000153   0.000116  -0.000471   0.000102   0.000265
    18  H   -0.600247   0.216883  -0.184723  -0.001097   0.000150   0.000072
    19  H    2.502384  -0.184761  -0.012167   0.000245   0.000116  -0.000473
    20  H   -0.184761   2.796374  -0.600679  -0.002555   0.000276  -0.001103
    21  H   -0.012167  -0.600679   2.503117   0.000274  -0.000076   0.000149
    22  H    0.000245  -0.002555   0.000274   2.796876  -0.600763   0.216968
    23  H    0.000116   0.000276  -0.000076  -0.600763   2.503279  -0.184761
    24  H   -0.000473  -0.001103   0.000149   0.216968  -0.184761   2.797342
    25  H    0.000104   0.000250   0.000117  -0.184950  -0.012071  -0.600173
    26  H   -0.000342  -0.001615   0.000624  -0.001928   0.006573  -0.082860
    27  H   -0.000442  -0.003576   0.001611  -0.029432   0.008898   0.042414
    28  H   -0.001256   0.005908   0.000994  -0.082922   0.017761  -0.001941
    29  H    0.005037   0.000215  -0.000283   0.042339  -0.017768  -0.029387
    30  H    0.006552  -0.082859   0.017775   0.005961   0.000989  -0.004836
    31  H    0.008901   0.042304  -0.017796   0.000212  -0.000279  -0.003812
    32  H    0.017822  -0.001929   0.006574  -0.001620   0.000628  -0.000111
    33  H   -0.017931  -0.029486   0.008900  -0.003567   0.001612   0.000186
    34  H    0.000959  -0.004789  -0.001249  -0.000110  -0.000337  -0.001630
    35  H   -0.000289  -0.003810   0.005028   0.000186  -0.000436  -0.003553
    36  H    0.000632  -0.000103  -0.000339  -0.004777  -0.001218   0.005834
    37  H    0.001604   0.000186  -0.000439  -0.003808   0.005017   0.000230
              25         26         27         28         29         30
     1  C   -0.475360   0.003691  -0.122960   0.007920   0.028799   0.026168
     2  C    0.207429   0.007867   0.029257   0.003581  -0.122605   0.013643
     3  N   -0.078956   0.018262  -0.054324   0.234202   0.306032  -0.024808
     4  Rh   0.685459  -0.038719  -0.091944  -0.039716  -0.091968  -0.039984
     5  N   -0.644808   0.233864   0.306226   0.018382  -0.054158  -0.031064
     6  N    0.021522  -0.031107   0.027682   0.013868   0.005409   0.005528
     7  C    0.005518   0.026077   0.000825   0.004365  -0.004510  -0.003919
     8  C   -0.008045   0.013525   0.009085  -0.003932   0.018144   0.004350
     9  N   -0.027134  -0.025152   0.054168   0.005531   0.044644   0.013853
    10  N    0.000916   0.013796   0.005439  -0.030933   0.027731   0.018432
    11  C   -0.001725   0.004363  -0.004549   0.026188   0.000824   0.007863
    12  C    0.004779  -0.003909   0.018240   0.013628   0.009050   0.003699
    13  N    0.030513   0.005470   0.044510  -0.024768   0.054176   0.234474
    14  H    0.000297   0.005894   0.000228  -0.001624  -0.003561  -0.000112
    15  H   -0.000084   0.000943  -0.000277   0.000635   0.001598  -0.000341
    16  H    0.000149  -0.004790  -0.003820  -0.000109   0.000185  -0.001625
    17  H    0.000114  -0.001220   0.005021  -0.000337  -0.000433   0.000630
    18  H   -0.000474  -0.000102   0.000181  -0.004814  -0.003814  -0.001918
    19  H    0.000104  -0.000342  -0.000442  -0.001256   0.005037   0.006552
    20  H    0.000250  -0.001615  -0.003576   0.005908   0.000215  -0.082859
    21  H    0.000117   0.000624   0.001611   0.000994  -0.000283   0.017775
    22  H   -0.184950  -0.001928  -0.029432  -0.082922   0.042339   0.005961
    23  H   -0.012071   0.006573   0.008898   0.017761  -0.017768   0.000989
    24  H   -0.600173  -0.082860   0.042414  -0.001941  -0.029387  -0.004836
    25  H    2.501400   0.017763  -0.018054   0.006554   0.008895  -0.001230
    26  H    0.017763   1.014986  -0.157377  -0.002081   0.003086  -0.001068
    27  H   -0.018054  -0.157377   0.869902   0.003075  -0.003484   0.002946
    28  H    0.006554  -0.002081   0.003075   1.014890  -0.157487   0.002290
    29  H    0.008895   0.003086  -0.003484  -0.157487   0.870355  -0.000182
    30  H   -0.001230  -0.001068   0.002946   0.002290  -0.000182   1.014936
    31  H    0.005033   0.002429  -0.003023  -0.000184   0.004418  -0.157559
    32  H   -0.000342  -0.000137   0.000630  -0.001068   0.002430  -0.002088
    33  H   -0.000444   0.000630   0.000833   0.002939  -0.003017   0.003074
    34  H    0.000641  -0.001065   0.002438  -0.000134   0.000639  -0.001066
    35  H    0.001595   0.002895  -0.003017   0.000635   0.000823   0.002445
    36  H    0.000951   0.002263  -0.000178  -0.001070   0.002895  -0.000138
    37  H   -0.000287  -0.000183   0.004422   0.002443  -0.003002   0.000632
              31         32         33         34         35         36
     1  C    0.000831   0.004349  -0.004580  -0.003921   0.018190   0.013391
     2  C    0.009020  -0.003899   0.018228   0.004373  -0.004513   0.026113
     3  N    0.054098   0.005489   0.044372   0.013882   0.005458  -0.031067
     4  Rh  -0.090732  -0.039029  -0.091403  -0.038640  -0.093110  -0.038255
     5  N    0.027662   0.013818   0.005414   0.005445   0.044864  -0.025116
     6  N    0.044449  -0.025084   0.054195   0.233413   0.306542   0.018321
     7  C    0.018188   0.013666   0.009048   0.003404  -0.122632   0.008053
     8  C   -0.004555   0.026082   0.000873   0.008101   0.028864   0.003423
     9  N    0.005403  -0.031016   0.027682   0.018415  -0.054049   0.233634
    10  N   -0.054413   0.233620   0.305760  -0.024979   0.054266   0.005447
    11  C    0.028972   0.003666  -0.122756   0.013463   0.009068  -0.003918
    12  C   -0.122735   0.007834   0.029067   0.026131   0.000832   0.004364
    13  N    0.305436   0.018235  -0.054341  -0.031000   0.027849   0.013829
    14  H    0.000189  -0.004824  -0.003819  -0.001944  -0.029478  -0.082920
    15  H   -0.000440  -0.001228   0.005029   0.006562   0.008904   0.017814
    16  H   -0.003556   0.006018   0.000206  -0.082928   0.042335  -0.001923
    17  H    0.001609   0.000974  -0.000273   0.017833  -0.017810   0.006560
    18  H   -0.029447  -0.082840   0.042351   0.005919   0.000217  -0.001623
    19  H    0.008901   0.017822  -0.017931   0.000959  -0.000289   0.000632
    20  H    0.042304  -0.001929  -0.029486  -0.004789  -0.003810  -0.000103
    21  H   -0.017796   0.006574   0.008900  -0.001249   0.005028  -0.000339
    22  H    0.000212  -0.001620  -0.003567  -0.000110   0.000186  -0.004777
    23  H   -0.000279   0.000628   0.001612  -0.000337  -0.000436  -0.001218
    24  H   -0.003812  -0.000111   0.000186  -0.001630  -0.003553   0.005834
    25  H    0.005033  -0.000342  -0.000444   0.000641   0.001595   0.000951
    26  H    0.002429  -0.000137   0.000630  -0.001065   0.002895   0.002263
    27  H   -0.003023   0.000630   0.000833   0.002438  -0.003017  -0.000178
    28  H   -0.000184  -0.001068   0.002939  -0.000134   0.000635  -0.001070
    29  H    0.004418   0.002430  -0.003017   0.000639   0.000823   0.002895
    30  H   -0.157559  -0.002088   0.003074  -0.001066   0.002445  -0.000138
    31  H    0.870532   0.003087  -0.003486   0.002928  -0.003019   0.000635
    32  H    0.003087   1.015492  -0.157440   0.002278  -0.000190  -0.001069
    33  H   -0.003486  -0.157440   0.870251  -0.000175   0.004425   0.002435
    34  H    0.002928   0.002278  -0.000175   1.014954  -0.157488  -0.002077
    35  H   -0.003019  -0.000190   0.004425  -0.157488   0.870241   0.003083
    36  H    0.000635  -0.001069   0.002435  -0.002077   0.003083   1.014865
    37  H    0.000828   0.002936  -0.003034   0.003081  -0.003475  -0.157468
              37
     1  C    0.009074
     2  C    0.000803
     3  N    0.027725
     4  Rh  -0.092683
     5  N    0.054194
     6  N   -0.054178
     7  C    0.029259
     8  C   -0.123030
     9  N    0.306727
    10  N    0.044803
    11  C    0.018229
    12  C   -0.004522
    13  N    0.005482
    14  H    0.042407
    15  H   -0.018026
    16  H   -0.029471
    17  H    0.008907
    18  H   -0.003559
    19  H    0.001604
    20  H    0.000186
    21  H   -0.000439
    22  H   -0.003808
    23  H    0.005017
    24  H    0.000230
    25  H   -0.000287
    26  H   -0.000183
    27  H    0.004422
    28  H    0.002443
    29  H   -0.003002
    30  H    0.000632
    31  H    0.000828
    32  H    0.002936
    33  H   -0.003034
    34  H    0.003081
    35  H   -0.003475
    36  H   -0.157468
    37  H    0.870048
 Mulliken charges:
               1
     1  C    1.375303
     2  C    1.372192
     3  N    0.368473
     4  Rh  -1.488118
     5  N    0.367133
     6  N    0.368284
     7  C    1.372502
     8  C    1.375004
     9  N    0.367719
    10  N    0.368370
    11  C    1.374068
    12  C    1.373315
    13  N    0.368253
    14  H   -0.574283
    15  H   -0.446099
    16  H   -0.573980
    17  H   -0.446522
    18  H   -0.574185
    19  H   -0.446279
    20  H   -0.573883
    21  H   -0.446530
    22  H   -0.573988
    23  H   -0.446526
    24  H   -0.574559
    25  H   -0.445860
    26  H   -0.031346
    27  H    0.058427
    28  H   -0.031411
    29  H    0.057936
    30  H   -0.031444
    31  H    0.057871
    32  H   -0.031716
    33  H    0.058239
    34  H   -0.031325
    35  H    0.058125
    36  H   -0.031286
    37  H    0.058129
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.354884
     2  C    0.351678
     3  N    0.394997
     4  Rh  -1.488118
     5  N    0.394213
     6  N    0.395084
     7  C    0.351999
     8  C    0.354621
     9  N    0.394561
    10  N    0.394894
    11  C    0.353605
    12  C    0.352903
    13  N    0.394680
 Electronic spatial extent (au):  <R**2>=           2784.3092
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0004    Y=              0.0007    Z=             -0.0002  Tot=              0.0008
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.8763   YY=            -30.9164   ZZ=            -54.7664
   XY=             -0.0020   XZ=             -0.0032   YZ=              0.0004
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.9767   YY=              7.9366   ZZ=            -15.9133
   XY=             -0.0020   XZ=             -0.0032   YZ=              0.0004
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             13.6927  YYY=             33.7439  ZZZ=             -0.0018  XYY=            -13.6892
  XXY=            -33.7844  XXZ=             -0.0082  XZZ=              0.0188  YZZ=             -0.0190
  YYZ=              0.0021  XYZ=             -0.0014
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1023.9653 YYYY=          -1023.0853 ZZZZ=           -333.9317 XXXY=             -0.0095
 XXXZ=             32.4455 YYYX=              0.0093 YYYZ=            -13.1598 ZZZX=              0.0097
 ZZZY=              0.0379 XXYY=           -341.1806 XXZZ=           -230.5919 YYZZ=           -230.4738
 XXYZ=             13.1615 YYXZ=            -32.4737 ZZXY=             -0.0181
 N-N= 1.198454714059D+03 E-N=-3.905148376799D+03  KE= 6.075982614562D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 21:39:26 2021, MaxMem= 10737418240 cpu:              12.1 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.57041775D-04 2.84772257D-04-7.33539917D-05
 Polarizability= 1.50650499D+02-2.45177805D-03 1.50603333D+02
                 1.66914436D-04 3.06928015D-03 1.17003112D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0025    0.0000       -0.0055   -0.0017
 2      0.0025   -0.0000       -0.0035   -0.0019       -0.0308   -0.0266
 3      0.0055    0.0017       18.1921   18.1836        0.0045    0.0019
 4      0.0035    0.0019       -0.0000    0.0000       -0.0030    0.0017
 5    -18.1613  -18.1570        0.0030   -0.0017       -0.0030    0.0000
 6     -0.0045   -0.0019        0.0030   -0.0000       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0001   -0.0001       -0.0052   -0.0052
 2      0.0057    0.0057       -0.0000    0.0000       -0.0052   -0.0052
 3      0.0057    0.0057       -0.0001   -0.0001       -0.0000    0.0000
 4     -0.0001   -0.0001       -0.0057   -0.0057       -0.0798   -0.0798
 5      0.0052    0.0052       54.5508   54.5508        0.0057    0.0057
 6    -54.4709  -54.4709       -0.0052   -0.0052        0.0001    0.0001
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1094    0.0000        0.0786   -0.0001        0.0403    0.0069
 2     -0.0610    0.0001        0.1214    0.0075        0.1115    0.1064
 3      0.0169   -0.0069      -72.6917  -72.7344       -0.0617   -0.0075
 4     -0.1139   -0.0075        0.0582    0.0000        0.1546   -0.0069
 5     72.6059   72.6279       -0.0557    0.0069       -0.0101   -0.0001
 6     -0.0241    0.0075        0.0287    0.0001       -0.0157    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5127    0.0000        0.0238    0.0302       -0.6545    0.0269
 2     -0.3416   -0.0302        0.6589    0.0004       -0.5427    0.0626
 3     -0.3505   -0.0269      -19.9993  -19.9330        0.9679   -0.0004
 4      0.0760   -0.0004       -0.0644    0.0000        0.2870   -0.0269
 5     19.3302   19.8704        0.3371    0.0269        0.1806    0.0302
 6     -0.2600    0.0004        0.0388   -0.0302        0.1215    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -34.4530  -34.5325       85.1295   85.0817       -0.0807   -0.0119
 2    -34.3939  -34.5414       85.1328   85.1066       -0.1374   -0.0119
 3    -34.4312  -34.5414       85.1226   85.0817       -0.0439   -0.0176
 4      0.0868   -0.0250       -0.1487    0.0089       -0.0408    0.0104
 5      0.0115   -0.0056      -38.1071  -38.0603        0.1017   -0.0089
 6     37.9716   38.0498        0.0894    0.0056        0.1434    0.0250
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006   -0.0004    0.0003    5.9684   15.3289   17.0278
 Low frequencies ---   83.5307   85.6235  116.1719
 Diagonal vibrational polarizability:
       15.3975984      15.2519679      11.2169964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     83.4767                85.5903               116.1570
 Red. masses --      3.0249                 3.0350                 2.8829
 Frc consts  --      0.0124                 0.0131                 0.0229
 IR Inten    --      0.0222                 0.0168                 0.5762
 RamAct Fr= 1--      1.0482                 1.0542                 0.0020
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7260
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8412
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1497                 0.1506                 0.0003
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.1160                 0.1163                 0.0027
 Delta2 Fr= 1--     -0.0601                -0.0619                 0.0003
 Raman1 Fr= 1--       4.193                  4.217                  0.008
 ROA1   Fr= 1--       9.213                  9.186                  0.267
 CID1   Fr= 1--       2.197                  2.178                 33.248
 Raman2 Fr= 1--       1.797                  1.807                  0.003
 ROA2   Fr= 1--       3.265                  3.286                  0.062
 CID2   Fr= 1--       1.817                  1.819                 18.255
 Raman3 Fr= 1--       3.594                  3.614                  0.007
 ROA3   Fr= 1--       9.213                  9.186                  0.267
 CID3   Fr= 1--       2.563                  2.542                 39.523
 RC180  Fr= 1--       0.714                  0.714                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07  -0.01     0.18  -0.09  -0.06     0.04  -0.03  -0.10
     2   6     0.00  -0.12  -0.04     0.07  -0.16  -0.05     0.02  -0.04  -0.11
     3   7    -0.03  -0.06  -0.01    -0.02   0.00   0.03     0.02   0.08   0.02
     4  45    -0.04  -0.01  -0.00    -0.01   0.04   0.00    -0.00  -0.00   0.07
     5   7    -0.03   0.01   0.03     0.05   0.02   0.01    -0.08   0.01   0.02
     6   7    -0.04   0.05  -0.01     0.02   0.01  -0.03     0.04  -0.07   0.02
     7   6    -0.03   0.14  -0.05    -0.03  -0.16   0.04     0.01   0.05  -0.11
     8   6     0.04   0.09  -0.02    -0.14  -0.12   0.06     0.03   0.04  -0.11
     9   7    -0.02  -0.02   0.03    -0.06   0.01  -0.00    -0.08  -0.03   0.03
    10   7     0.00  -0.04  -0.02    -0.04   0.04  -0.02     0.06  -0.05   0.03
    11   6     0.21  -0.05   0.06    -0.00   0.04  -0.02    -0.04   0.01  -0.10
    12   6     0.19   0.09   0.06     0.01   0.05   0.02    -0.04  -0.02  -0.10
    13   7    -0.01   0.03  -0.02     0.02   0.05   0.02     0.04   0.06   0.02
    14   1     0.13   0.08   0.01    -0.27  -0.07   0.07     0.15  -0.00  -0.10
    15   1     0.05   0.14  -0.04    -0.16  -0.23   0.11    -0.01   0.11  -0.19
    16   1    -0.11   0.16  -0.06     0.09  -0.23   0.02    -0.12   0.10  -0.12
    17   1     0.02   0.20  -0.08    -0.08  -0.23   0.08     0.09   0.09  -0.20
    18   1     0.24  -0.21   0.06     0.02   0.04  -0.04    -0.07   0.13  -0.09
    19   1     0.32  -0.00   0.12    -0.02   0.04  -0.02    -0.09  -0.06  -0.18
    20   1     0.18   0.26   0.06    -0.01   0.06   0.04    -0.03  -0.14  -0.11
    21   1     0.31   0.08   0.12     0.04   0.05   0.03    -0.11   0.03  -0.19
    22   1    -0.06  -0.15  -0.06    -0.03  -0.27  -0.03    -0.08  -0.13  -0.11
    23   1     0.05  -0.17  -0.07     0.15  -0.22  -0.10     0.10  -0.06  -0.20
    24   1     0.11  -0.05   0.02     0.29  -0.01  -0.07     0.14   0.04  -0.10
    25   1     0.05  -0.10  -0.03     0.22  -0.20  -0.12     0.02  -0.11  -0.19
    26   1    -0.02   0.05   0.10     0.09   0.09   0.09    -0.10   0.03   0.12
    27   1    -0.10   0.03  -0.01    -0.06   0.02  -0.04    -0.20   0.02  -0.03
    28   1    -0.06  -0.07   0.01    -0.10  -0.01   0.13    -0.00   0.09   0.11
    29   1    -0.00  -0.02  -0.02    -0.00   0.12  -0.03     0.05   0.19  -0.03
    30   1    -0.06   0.11  -0.13     0.03   0.05   0.04     0.07   0.06   0.11
    31   1    -0.08  -0.08   0.04     0.04   0.05   0.01     0.10   0.16  -0.03
    32   1    -0.03  -0.13  -0.13    -0.04   0.03  -0.05     0.09  -0.04   0.12
    33   1    -0.09   0.05   0.04    -0.06   0.04  -0.01     0.15  -0.13  -0.03
    34   1    -0.09   0.05   0.03     0.09   0.02  -0.13     0.02  -0.09   0.11
    35   1    -0.01   0.00  -0.03    -0.03   0.12   0.03     0.10  -0.17  -0.03
    36   1     0.01  -0.06   0.10    -0.11   0.06  -0.08    -0.09  -0.06   0.13
    37   1    -0.09  -0.05  -0.01     0.04   0.02   0.04    -0.19  -0.07  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    143.1030               143.8430               163.2946
 Red. masses --      2.8937                 2.8933                 2.7492
 Frc consts  --      0.0349                 0.0353                 0.0432
 IR Inten    --      0.3026                 0.3197                 0.0117
 RamAct Fr= 1--      0.2152                 0.2043                 2.0769
  Dep-P Fr= 1--      0.7492                 0.7498                 0.7443
  Dep-U Fr= 1--      0.8566                 0.8570                 0.8534
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0307                 0.0292                 0.2954
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0048
 Gamma2 Fr= 1--      0.8691                 0.8576                -3.0156
 Delta2 Fr= 1--      0.2067                 0.2050                -1.1375
 Raman1 Fr= 1--       0.861                  0.817                  8.307
 ROA1   Fr= 1--      90.047                 88.892               -325.897
 CID1   Fr= 1--     104.616                108.759                -39.230
 Raman2 Fr= 1--       0.369                  0.350                  3.545
 ROA2   Fr= 1--      19.204                 18.943                -63.274
 CID2   Fr= 1--      52.091                 54.087                -17.850
 Raman3 Fr= 1--       0.737                  0.700                  7.090
 ROA3   Fr= 1--      90.047                 88.892               -325.897
 CID3   Fr= 1--     122.128                126.902                -45.969
 RC180  Fr= 1--       0.713                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.12    -0.05   0.03  -0.07     0.02  -0.04  -0.08
     2   6     0.03  -0.04  -0.08    -0.00   0.05  -0.10    -0.03   0.03   0.09
     3   7     0.08  -0.09  -0.08     0.04   0.03  -0.05    -0.07   0.07   0.08
     4  45     0.01   0.01  -0.00     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
     5   7    -0.05   0.11   0.09    -0.06  -0.00  -0.02     0.05  -0.09  -0.08
     6   7     0.06   0.02  -0.07     0.05   0.11  -0.07     0.04   0.09  -0.08
     7   6     0.01  -0.03  -0.12     0.02   0.06  -0.06     0.02   0.04  -0.08
     8   6    -0.04  -0.05  -0.03    -0.00  -0.03   0.13    -0.01  -0.04   0.09
     9   7    -0.06  -0.05   0.00    -0.01  -0.12   0.09    -0.03  -0.09   0.08
    10   7     0.06   0.06   0.08    -0.11  -0.00  -0.05     0.10   0.02   0.08
    11   6    -0.00   0.02   0.14    -0.07   0.00  -0.03     0.04   0.01   0.08
    12   6    -0.07  -0.02   0.01     0.02  -0.01   0.14    -0.04  -0.00  -0.08
    13   7    -0.09  -0.04  -0.03     0.09  -0.04   0.09    -0.09  -0.00  -0.07
    14   1    -0.04  -0.01   0.02    -0.00   0.08   0.25    -0.00   0.05   0.19
    15   1    -0.08  -0.10  -0.04    -0.02  -0.14   0.18    -0.04  -0.13   0.11
    16   1    -0.03  -0.06  -0.17    -0.05  -0.02  -0.18    -0.04  -0.03  -0.18
    17   1     0.05  -0.00  -0.16     0.07   0.17  -0.09     0.06   0.13  -0.10
    18   1    -0.07  -0.03   0.22     0.01   0.04  -0.13    -0.04  -0.02   0.17
    19   1     0.06   0.06   0.19    -0.18  -0.01  -0.04     0.13   0.03   0.10
    20   1     0.00  -0.03  -0.07    -0.08   0.02   0.24     0.05  -0.02  -0.17
    21   1    -0.15  -0.05   0.01     0.11  -0.03   0.19    -0.13  -0.01  -0.10
    22   1    -0.06   0.02  -0.21    -0.03   0.05  -0.12     0.05  -0.02   0.19
    23   1     0.12  -0.13  -0.12     0.02   0.06  -0.13    -0.10   0.11   0.12
    24   1     0.00  -0.07   0.24    -0.04   0.02  -0.06    -0.02   0.05  -0.19
    25   1    -0.08   0.15   0.16    -0.09   0.04  -0.09     0.08  -0.12  -0.11
    26   1    -0.07   0.13   0.20    -0.09  -0.02   0.00     0.08  -0.10  -0.18
    27   1    -0.08   0.22   0.03    -0.08   0.00  -0.04     0.09  -0.17  -0.03
    28   1     0.09  -0.12  -0.19     0.08   0.04  -0.06    -0.07   0.10   0.16
    29   1     0.17  -0.16  -0.02     0.07   0.03  -0.04    -0.14   0.12   0.03
    30   1    -0.10  -0.08  -0.11     0.12  -0.05   0.17    -0.11  -0.02  -0.15
    31   1    -0.16  -0.05   0.01     0.18  -0.07   0.05    -0.17   0.01  -0.03
    32   1     0.08   0.09   0.15    -0.14   0.03  -0.15     0.12   0.01   0.17
    33   1     0.12   0.11   0.05    -0.20  -0.03   0.00     0.18   0.05   0.03
    34   1     0.09   0.02  -0.11     0.04   0.15  -0.17     0.03   0.12  -0.16
    35   1     0.11   0.04  -0.05     0.11   0.19  -0.01     0.09   0.16  -0.03
    36   1    -0.09  -0.04   0.06    -0.02  -0.15   0.20    -0.05  -0.11   0.17
    37   1    -0.08  -0.09  -0.02    -0.01  -0.22   0.04    -0.04  -0.18   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.4513               215.0331               220.8686
 Red. masses --      2.7314                 2.7458                 2.9941
 Frc consts  --      0.0740                 0.0748                 0.0861
 IR Inten    --      7.0843                 6.8916                11.2730
 RamAct Fr= 1--      2.7312                 2.7757                 0.0701
  Dep-P Fr= 1--      0.7500                 0.7494                 0.7331
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8460
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3902                 0.3964                 0.0099
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -1.1318                -1.2031                -0.0239
 Delta2 Fr= 1--     -0.1073                -0.1091                -0.0019
 Raman1 Fr= 1--      10.925                 11.103                  0.280
 ROA1   Fr= 1--    -112.085               -118.984                 -2.359
 CID1   Fr= 1--     -10.260                -10.717                 -8.413
 Raman2 Fr= 1--       4.682                  4.756                  0.119
 ROA2   Fr= 1--     -26.304                -28.000                 -0.559
 CID2   Fr= 1--      -5.618                 -5.887                 -4.717
 Raman3 Fr= 1--       9.364                  9.513                  0.237
 ROA3   Fr= 1--    -112.085               -118.984                 -2.359
 CID3   Fr= 1--     -11.970                -12.508                 -9.944
 RC180  Fr= 1--       0.714                  0.714                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.05   0.02     0.00   0.04  -0.03    -0.07  -0.02  -0.03
     2   6    -0.07  -0.07  -0.01    -0.05   0.00  -0.02     0.03   0.05  -0.04
     3   7    -0.05  -0.06   0.01    -0.07   0.12   0.08     0.12  -0.07  -0.04
     4  45    -0.01  -0.01  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.06
     5   7    -0.07  -0.01  -0.01    -0.11   0.09   0.07     0.02  -0.13  -0.04
     6   7    -0.01   0.14  -0.06     0.08   0.05  -0.06     0.09   0.08  -0.03
     7   6    -0.01   0.03   0.02     0.10  -0.04   0.02     0.03  -0.04  -0.04
     8   6    -0.06   0.04   0.03     0.06  -0.01  -0.00    -0.08   0.00  -0.03
     9   7     0.03   0.10  -0.07     0.10   0.07  -0.03    -0.03   0.12  -0.04
    10   7     0.15  -0.02   0.07    -0.05  -0.07  -0.05    -0.07  -0.07  -0.01
    11   6     0.02  -0.00  -0.01     0.01  -0.10   0.02     0.03  -0.04  -0.04
    12   6     0.03  -0.08  -0.02    -0.01  -0.06  -0.01     0.02   0.06  -0.04
    13   7     0.13  -0.01   0.08    -0.09  -0.08  -0.03    -0.09   0.06  -0.02
    14   1    -0.17   0.10   0.04    -0.02   0.01  -0.02    -0.16   0.03  -0.03
    15   1    -0.04  -0.04   0.11     0.05  -0.04   0.01    -0.11  -0.07  -0.03
    16   1     0.08  -0.02   0.01     0.20  -0.07   0.03     0.10  -0.08  -0.05
    17   1    -0.06  -0.00   0.06     0.04  -0.08   0.08     0.01  -0.11  -0.04
    18   1    -0.01   0.13  -0.01     0.01  -0.19   0.04     0.05  -0.09  -0.04
    19   1    -0.05  -0.04  -0.07     0.07  -0.06   0.08     0.10  -0.05  -0.05
    20   1     0.04  -0.22  -0.02     0.01  -0.00  -0.03     0.02   0.11  -0.05
    21   1    -0.06  -0.04  -0.09     0.01  -0.06  -0.00     0.08   0.08  -0.05
    22   1    -0.10  -0.07  -0.03    -0.15  -0.09  -0.02     0.09   0.11  -0.04
    23   1    -0.04  -0.08  -0.04     0.04  -0.03  -0.10    -0.02   0.11  -0.03
    24   1    -0.07  -0.07   0.04     0.11   0.12  -0.03    -0.15  -0.08  -0.03
    25   1    -0.07  -0.02   0.05     0.01  -0.05  -0.10    -0.12   0.04  -0.02
    26   1    -0.07  -0.00   0.02    -0.15   0.11   0.24     0.02  -0.18  -0.19
    27   1    -0.07   0.01  -0.02    -0.23   0.18  -0.01     0.10  -0.23   0.03
    28   1    -0.05  -0.06   0.00    -0.07   0.17   0.25     0.16  -0.09  -0.19
    29   1    -0.04  -0.06   0.01    -0.12   0.27  -0.01     0.19  -0.18   0.04
    30   1     0.18   0.02   0.25    -0.12  -0.09  -0.15    -0.12   0.08  -0.12
    31   1     0.27   0.06  -0.01    -0.19  -0.10   0.03    -0.18   0.05   0.03
    32   1     0.20  -0.04   0.25    -0.07  -0.06  -0.13    -0.10  -0.10  -0.11
    33   1     0.32  -0.04  -0.03    -0.13  -0.04  -0.00    -0.16  -0.09   0.04
    34   1    -0.01   0.19  -0.21     0.08   0.07  -0.15     0.13   0.11  -0.17
    35   1     0.01   0.27   0.02     0.08   0.14  -0.01     0.14   0.20   0.04
    36   1     0.06   0.12  -0.20     0.12   0.10  -0.15    -0.03   0.17  -0.16
    37   1     0.11   0.19   0.00     0.15   0.17   0.03     0.02   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    245.4806               301.0760               301.6480
 Red. masses --      4.3796                 1.9132                 1.9065
 Frc consts  --      0.1555                 0.1022                 0.1022
 IR Inten    --      0.0019                 1.2390                 1.2487
 RamAct Fr= 1--     17.5154                 0.4361                 0.4149
  Dep-P Fr= 1--      0.0986                 0.7484                 0.7402
  Dep-U Fr= 1--      0.1794                 0.8561                 0.8507
 Alpha2 Fr= 1--      0.3077                 0.0000                 0.0001
 Beta2  Fr= 1--      0.5238                 0.0622                 0.0588
 AlphaG Fr= 1--     -0.0027                 0.0000                 0.0002
 Gamma2 Fr= 1--      4.5270                -0.7866                -0.6815
 Delta2 Fr= 1--      0.5570                -0.0125                -0.0138
 Raman1 Fr= 1--      70.062                  1.744                  1.660
 ROA1   Fr= 1--     452.417                -75.919                -65.868
 CID1   Fr= 1--       6.457                -43.521                -39.690
 Raman2 Fr= 1--       6.286                  0.747                  0.706
 ROA2   Fr= 1--     104.193                -18.779                -16.245
 CID2   Fr= 1--      16.576                -25.151                -23.013
 Raman3 Fr= 1--      12.572                  1.493                  1.412
 ROA3   Fr= 1--     452.417                -75.919                -65.868
 CID3   Fr= 1--      35.987                -50.838                -46.654
 RC180  Fr= 1--      -0.641                  0.712                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.10   0.02     0.09   0.02  -0.08     0.01   0.01  -0.02
     2   6    -0.13  -0.12  -0.02     0.04   0.08   0.08    -0.00   0.01  -0.01
     3   7    -0.08  -0.08   0.05     0.03  -0.05  -0.05    -0.00  -0.02  -0.03
     4  45    -0.00   0.00  -0.00    -0.03  -0.02  -0.00    -0.02   0.03  -0.00
     5   7    -0.10  -0.06  -0.05    -0.04   0.04   0.06     0.02   0.00  -0.02
     6   7     0.10  -0.06  -0.05    -0.00   0.04  -0.05     0.01   0.04  -0.04
     7   6     0.16  -0.08   0.02     0.02  -0.03   0.02     0.06  -0.06   0.08
     8   6     0.17  -0.05  -0.02     0.04  -0.00  -0.04     0.08   0.01  -0.07
     9   7     0.11  -0.03   0.05     0.00  -0.01  -0.00    -0.04  -0.05   0.06
    10   7    -0.03   0.12   0.05     0.04  -0.01   0.05    -0.03  -0.01  -0.03
    11   6    -0.04   0.17  -0.02    -0.03   0.04  -0.04     0.04  -0.06   0.07
    12   6    -0.01   0.18   0.02     0.01   0.05   0.06    -0.02  -0.07  -0.06
    13   7     0.00   0.12  -0.05    -0.02   0.00  -0.01     0.05   0.02   0.06
    14   1     0.22  -0.11  -0.06     0.08  -0.06  -0.09     0.22  -0.14  -0.17
    15   1     0.14   0.01  -0.10     0.04   0.07  -0.09     0.07   0.19  -0.20
    16   1     0.23  -0.08   0.06     0.13  -0.04   0.06     0.25  -0.05   0.18
    17   1     0.09  -0.11   0.10    -0.05  -0.08   0.09    -0.07  -0.18   0.20
    18   1    -0.02   0.25  -0.06    -0.00   0.18  -0.10    -0.02  -0.21   0.16
    19   1    -0.08   0.12  -0.10    -0.13  -0.03  -0.13     0.16   0.01   0.17
    20   1    -0.05   0.24   0.06    -0.05   0.14   0.12     0.06  -0.22  -0.14
    21   1     0.05   0.13   0.10     0.12   0.03   0.13    -0.17  -0.02  -0.17
    22   1    -0.20  -0.13  -0.06     0.25   0.13   0.19     0.03   0.03  -0.00
    23   1    -0.06  -0.13  -0.09    -0.13   0.17   0.21    -0.02   0.01   0.02
    24   1    -0.18  -0.16   0.06     0.19   0.20  -0.19    -0.00   0.01  -0.03
    25   1    -0.14  -0.03   0.09     0.13  -0.17  -0.21     0.02   0.00  -0.02
    26   1    -0.10  -0.06  -0.05    -0.06   0.07   0.21     0.04   0.01  -0.07
    27   1    -0.07  -0.03  -0.05    -0.19   0.09  -0.02     0.03  -0.04   0.00
    28   1    -0.09  -0.09   0.04     0.06  -0.07  -0.19    -0.01  -0.05  -0.10
    29   1    -0.05  -0.06   0.05     0.03  -0.19   0.02     0.04  -0.08   0.00
    30   1     0.00   0.13  -0.04    -0.04   0.02  -0.05     0.09   0.03   0.21
    31   1     0.02   0.08  -0.05    -0.05  -0.06   0.01     0.17   0.10  -0.02
    32   1    -0.03   0.12   0.05     0.08  -0.02   0.19    -0.06  -0.03  -0.11
    33   1    -0.03   0.07   0.05     0.17  -0.04  -0.02    -0.11   0.06   0.02
    34   1     0.11  -0.06  -0.04    -0.01   0.07  -0.16     0.04   0.07  -0.15
    35   1     0.06  -0.05  -0.05     0.01   0.14   0.01    -0.03   0.16   0.02
    36   1     0.12  -0.04   0.05     0.02  -0.03   0.01    -0.06  -0.09   0.22
    37   1     0.07  -0.02   0.05    -0.03  -0.00  -0.01    -0.17  -0.15  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.9809               327.5257               328.2693
 Red. masses --      1.7103                 3.6671                 3.6244
 Frc consts  --      0.0943                 0.2318                 0.2301
 IR Inten    --      0.0089                 9.2256                 9.2272
 RamAct Fr= 1--      2.7328                 3.4937                 3.5193
  Dep-P Fr= 1--      0.0388                 0.7496                 0.7491
  Dep-U Fr= 1--      0.0746                 0.8569                 0.8566
 Alpha2 Fr= 1--      0.0554                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0340                 0.4990                 0.5024
 AlphaG Fr= 1--      0.1148                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.8357                -0.9700                -0.9394
 Delta2 Fr= 1--     -0.1589                -0.0814                -0.0808
 Raman1 Fr= 1--      10.931                 13.975                 14.077
 ROA1   Fr= 1--      75.138                -95.727                -92.769
 CID1   Fr= 1--       6.874                 -6.850                 -6.590
 Raman2 Fr= 1--       0.408                  5.988                  6.029
 ROA2   Fr= 1--      21.327                -22.629                -21.900
 CID2   Fr= 1--      52.288                 -3.779                 -3.632
 Raman3 Fr= 1--       0.816                 11.975                 12.058
 ROA3   Fr= 1--      75.138                -95.727                -92.769
 CID3   Fr= 1--      92.108                 -7.994                 -7.694
 RC180  Fr= 1--      -0.851                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.06    -0.05  -0.06  -0.04    -0.05  -0.07  -0.06
     2   6     0.01  -0.02  -0.06    -0.04  -0.01   0.04    -0.10  -0.04   0.07
     3   7     0.00   0.07   0.02     0.01  -0.03   0.07    -0.06  -0.13  -0.00
     4  45     0.00   0.00   0.00     0.10  -0.04  -0.00     0.03   0.10   0.00
     5   7     0.07  -0.02  -0.02    -0.11  -0.03   0.03    -0.08   0.00  -0.06
     6   7    -0.02   0.06  -0.02    -0.07   0.10   0.04     0.06  -0.04   0.06
     7   6    -0.01  -0.02   0.06    -0.11   0.01   0.07     0.03  -0.01  -0.01
     8   6     0.01   0.03  -0.06    -0.09   0.07  -0.07    -0.02   0.01   0.00
     9   7    -0.06  -0.03   0.02    -0.13  -0.01  -0.03    -0.05   0.02   0.06
    10   7     0.06  -0.04   0.02    -0.05   0.10  -0.03     0.06  -0.06  -0.06
    11   6    -0.03  -0.00  -0.06     0.01   0.07   0.04    -0.01  -0.09  -0.06
    12   6     0.03   0.01   0.06    -0.02   0.03  -0.03     0.04  -0.10   0.07
    13   7    -0.05  -0.05  -0.02     0.02   0.00  -0.07    -0.04  -0.13   0.01
    14   1     0.11  -0.08  -0.14    -0.02  -0.03  -0.16     0.01   0.01   0.02
    15   1     0.02   0.16  -0.14    -0.05   0.20  -0.11    -0.05  -0.01  -0.03
    16   1     0.13  -0.02   0.14     0.01   0.04   0.16    -0.01   0.01  -0.01
    17   1    -0.10  -0.13   0.14    -0.17  -0.11   0.11     0.06  -0.02  -0.05
    18   1     0.02   0.14  -0.15    -0.01  -0.01   0.07     0.04  -0.00  -0.14
    19   1    -0.16  -0.06  -0.15     0.05   0.11   0.09    -0.14  -0.10  -0.08
    20   1    -0.05   0.14   0.15     0.03   0.01  -0.08    -0.03  -0.00   0.14
    21   1     0.17  -0.02   0.15    -0.09  -0.01  -0.01     0.16  -0.11   0.11
    22   1    -0.13  -0.06  -0.14     0.01  -0.03   0.09     0.03  -0.02   0.14
    23   1     0.13  -0.10  -0.14    -0.08   0.07   0.03    -0.19   0.04   0.12
    24   1    -0.09  -0.11   0.14    -0.00   0.02  -0.09    -0.03   0.03  -0.14
    25   1    -0.06   0.15   0.14    -0.04  -0.14  -0.10     0.04  -0.17  -0.07
    26   1     0.09  -0.04  -0.14    -0.20  -0.03   0.23    -0.07   0.03  -0.01
    27   1     0.18  -0.07   0.05    -0.25   0.10  -0.08    -0.14  -0.01  -0.08
    28   1    -0.01   0.10   0.14     0.04   0.00   0.10    -0.07  -0.20  -0.22
    29   1    -0.02   0.19  -0.05    -0.06  -0.01   0.04     0.01  -0.30   0.11
    30   1    -0.08  -0.07  -0.16     0.02  -0.05  -0.13    -0.09  -0.18  -0.19
    31   1    -0.16  -0.13   0.05    -0.05   0.03  -0.03    -0.20  -0.20   0.11
    32   1     0.09  -0.04   0.14    -0.11   0.16  -0.24     0.08  -0.05   0.01
    33   1     0.17  -0.08  -0.05    -0.23   0.09   0.07     0.11  -0.11  -0.09
    34   1    -0.02   0.10  -0.14    -0.07   0.14  -0.10     0.10  -0.10   0.21
    35   1    -0.03   0.18   0.05    -0.08   0.22   0.11    -0.00  -0.18  -0.03
    36   1    -0.08  -0.06   0.14    -0.16  -0.04   0.13    -0.12   0.01   0.19
    37   1    -0.15  -0.11  -0.05    -0.23  -0.11  -0.11    -0.08  -0.11  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3837               406.8987               407.1900
 Red. masses --      3.7095                 4.8639                 4.8637
 Frc consts  --      0.3539                 0.4745                 0.4751
 IR Inten    --      0.1622                 3.1760                 3.0218
 RamAct Fr= 1--      0.0400                 5.0262                 5.0734
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0057                 0.7180                 0.7247
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0162                -1.9080                -1.8938
 Delta2 Fr= 1--     -0.0022                -0.2474                -0.2447
 Raman1 Fr= 1--       0.160                 20.105                 20.294
 ROA1   Fr= 1--      -1.628               -191.086               -189.638
 CID1   Fr= 1--     -10.185                 -9.504                 -9.345
 Raman2 Fr= 1--       0.068                  8.616                  8.696
 ROA2   Fr= 1--      -0.372                -43.813                -43.494
 CID2   Fr= 1--      -5.437                 -5.085                 -5.001
 Raman3 Fr= 1--       0.137                 17.232                 17.393
 ROA3   Fr= 1--      -1.628               -191.086               -189.638
 CID3   Fr= 1--     -11.883                -11.089                -10.903
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.03     0.04   0.10  -0.02    -0.05  -0.09   0.02
     2   6    -0.08   0.00  -0.03    -0.12  -0.02  -0.03     0.08   0.00   0.02
     3   7    -0.09  -0.04  -0.05    -0.18  -0.05  -0.13     0.10   0.03   0.08
     4  45    -0.00   0.01   0.09     0.08  -0.02   0.01     0.02   0.08  -0.01
     5   7     0.06   0.07  -0.05     0.09   0.13  -0.11    -0.08  -0.13   0.10
     6   7    -0.12   0.01  -0.07    -0.06  -0.00  -0.04    -0.19   0.01  -0.13
     7   6    -0.10  -0.02  -0.03    -0.04   0.01  -0.01    -0.13  -0.01  -0.03
     8   6     0.05  -0.08  -0.04    -0.01  -0.01  -0.00     0.08  -0.10  -0.03
     9   7     0.10  -0.08  -0.07     0.00   0.00  -0.00     0.15  -0.14  -0.14
    10   7     0.01   0.11  -0.06    -0.04  -0.17   0.12    -0.03  -0.11   0.08
    11   6     0.04   0.08  -0.03    -0.05  -0.11   0.02    -0.02  -0.07   0.02
    12   6     0.06  -0.07  -0.03    -0.07   0.11   0.03    -0.04   0.03   0.01
    13   7     0.04  -0.10  -0.07    -0.09   0.17   0.14    -0.03   0.06   0.05
    14   1     0.08  -0.13  -0.08    -0.01  -0.01  -0.01     0.07  -0.13  -0.07
    15   1     0.14   0.01   0.00     0.00  -0.00   0.00     0.22  -0.01   0.06
    16   1    -0.14  -0.04  -0.08    -0.05   0.00  -0.02    -0.14  -0.04  -0.06
    17   1    -0.09   0.10   0.00    -0.05   0.05   0.01    -0.15   0.14   0.06
    18   1     0.07   0.12  -0.07    -0.07  -0.11   0.06    -0.04  -0.09   0.04
    19   1    -0.07   0.11   0.00     0.08  -0.17  -0.06     0.06  -0.11  -0.03
    20   1     0.10  -0.10  -0.08    -0.10   0.10   0.06    -0.05   0.03   0.03
    21   1    -0.05  -0.13  -0.00     0.04   0.21  -0.06     0.01   0.07  -0.02
    22   1    -0.13   0.00  -0.07    -0.15  -0.00  -0.06     0.09  -0.02   0.04
    23   1    -0.05  -0.10  -0.00    -0.11  -0.17   0.06     0.06   0.10  -0.03
    24   1     0.03   0.13  -0.07     0.02   0.12  -0.06    -0.04  -0.12   0.05
    25   1     0.11   0.02  -0.01     0.16   0.05   0.05    -0.16  -0.05  -0.04
    26   1     0.11   0.06  -0.22     0.04   0.09  -0.09    -0.11  -0.14   0.14
    27   1     0.13  -0.06   0.04     0.12   0.17  -0.11    -0.14  -0.14   0.08
    28   1    -0.09  -0.10  -0.22    -0.19  -0.06  -0.16     0.06   0.00   0.06
    29   1     0.03  -0.15   0.04    -0.22  -0.11  -0.11     0.14   0.05   0.09
    30   1     0.01  -0.15  -0.24    -0.09   0.16   0.13    -0.02   0.00   0.02
    31   1    -0.11  -0.11   0.02    -0.11   0.24   0.13    -0.04   0.08   0.05
    32   1    -0.03   0.14  -0.23    -0.05  -0.12   0.09    -0.02  -0.15   0.12
    33   1    -0.14   0.07   0.02    -0.06  -0.24   0.13     0.01  -0.14   0.05
    34   1    -0.13   0.07  -0.24    -0.11   0.02  -0.08    -0.15  -0.01  -0.11
    35   1    -0.05   0.15   0.02    -0.06   0.04  -0.02    -0.27   0.01  -0.14
    36   1     0.15  -0.05  -0.24    -0.05   0.02   0.02     0.12  -0.13  -0.12
    37   1     0.14   0.07   0.02    -0.00  -0.02  -0.01     0.21  -0.19  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    463.2633               463.6083               500.8848
 Red. masses --      4.0188                 4.0242                 4.1867
 Frc consts  --      0.5082                 0.5096                 0.6189
 IR Inten    --      7.3678                 7.2955                 0.0006
 RamAct Fr= 1--      4.7065                 4.7631                49.3206
  Dep-P Fr= 1--      0.7493                 0.7500                 0.0029
  Dep-U Fr= 1--      0.8567                 0.8571                 0.0059
 Alpha2 Fr= 1--      0.0001                 0.0000                 1.0885
 Beta2  Fr= 1--      0.6720                 0.6804                 0.0482
 AlphaG Fr= 1--      0.0000                 0.0000                 0.7364
 Gamma2 Fr= 1--      0.6705                 0.6943                -0.6110
 Delta2 Fr= 1--     -0.0922                -0.0909                 0.0341
 Raman1 Fr= 1--      18.826                 19.052                197.283
 ROA1   Fr= 1--      61.417                 63.744                -57.566
 CID1   Fr= 1--       3.262                  3.346                 -0.292
 Raman2 Fr= 1--       8.064                  8.165                  0.578
 ROA2   Fr= 1--      16.829                 17.390                -14.937
 CID2   Fr= 1--       2.087                  2.130                -25.834
 Raman3 Fr= 1--      16.129                 16.330                  1.156
 ROA3   Fr= 1--      61.417                 63.744                -57.566
 CID3   Fr= 1--       3.808                  3.903                -49.780
 RC180  Fr= 1--       0.713                  0.714                 -0.988
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04     0.02   0.04   0.00     0.01   0.00   0.02
     2   6     0.04   0.01  -0.03    -0.03  -0.00  -0.01     0.01   0.00  -0.02
     3   7    -0.15   0.05  -0.20    -0.07   0.01  -0.06    -0.13   0.03  -0.15
     4  45     0.03   0.01   0.00    -0.01   0.03   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.17   0.20     0.01  -0.01   0.04    -0.01  -0.13   0.15
     6   7    -0.07  -0.06  -0.14     0.13   0.07   0.16     0.12   0.06   0.16
     7   6     0.04  -0.00  -0.02     0.00   0.01   0.03    -0.01   0.00   0.02
     8   6     0.00   0.01   0.03    -0.03   0.03  -0.02    -0.01   0.00  -0.02
     9   7    -0.04   0.13   0.15     0.01  -0.10  -0.14     0.04  -0.12  -0.15
    10   7    -0.02  -0.00   0.05    -0.12  -0.12   0.20     0.09   0.10  -0.15
    11   6     0.01   0.04   0.00    -0.00   0.02   0.04     0.00  -0.01  -0.02
    12   6     0.02  -0.02  -0.01    -0.01   0.03  -0.03     0.00  -0.01   0.02
    13   7     0.06  -0.05  -0.07     0.14  -0.07  -0.20    -0.11   0.07   0.15
    14   1     0.01   0.03   0.05    -0.08   0.05  -0.01    -0.05   0.01  -0.02
    15   1    -0.10  -0.04  -0.06     0.05   0.01   0.09     0.09  -0.00   0.09
    16   1     0.09  -0.02  -0.02     0.01   0.03   0.06    -0.05   0.02   0.02
    17   1    -0.03   0.04   0.08     0.05  -0.10  -0.06     0.07  -0.06  -0.09
    18   1     0.02   0.09  -0.02    -0.03   0.04   0.06     0.01  -0.05  -0.02
    19   1    -0.02   0.00  -0.05     0.09  -0.08  -0.09    -0.04   0.08   0.09
    20   1     0.05  -0.04  -0.04    -0.01   0.08  -0.04     0.00  -0.05   0.02
    21   1    -0.05  -0.06   0.01    -0.05  -0.08   0.11     0.02   0.08  -0.09
    22   1     0.07   0.05  -0.04    -0.06   0.00  -0.04     0.05   0.03  -0.02
    23   1    -0.03  -0.09   0.11    -0.01  -0.07   0.01    -0.05  -0.07   0.09
    24   1     0.05   0.01   0.06     0.04   0.08  -0.02     0.04   0.02   0.02
    25   1    -0.13   0.00  -0.10     0.02  -0.01  -0.04    -0.08  -0.02  -0.09
    26   1    -0.05  -0.26   0.13     0.03  -0.03  -0.04    -0.01  -0.16   0.05
    27   1     0.01  -0.24   0.23     0.05  -0.09   0.09     0.02  -0.19   0.19
    28   1    -0.24   0.03  -0.09    -0.11  -0.02  -0.10    -0.16   0.04  -0.05
    29   1    -0.24   0.10  -0.25    -0.04  -0.03  -0.03    -0.19   0.07  -0.19
    30   1     0.06  -0.10  -0.10     0.19  -0.15  -0.09    -0.14   0.09   0.05
    31   1     0.01  -0.05  -0.04     0.23  -0.10  -0.24    -0.18   0.08   0.19
    32   1    -0.04  -0.01  -0.04    -0.14  -0.22   0.13     0.11   0.13  -0.05
    33   1    -0.11  -0.04   0.10    -0.17  -0.16   0.23     0.15   0.13  -0.19
    34   1    -0.13  -0.07  -0.02     0.21   0.05   0.13     0.15   0.08   0.05
    35   1    -0.15  -0.14  -0.19     0.14   0.07   0.16     0.16   0.12   0.20
    36   1    -0.11   0.18   0.13     0.05  -0.15  -0.03     0.05  -0.16  -0.05
    37   1    -0.05   0.14   0.15     0.01  -0.21  -0.20     0.03  -0.19  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.2913               536.4347               567.4495
 Red. masses --      1.6558                 1.6541                 1.9025
 Frc consts  --      0.2806                 0.2804                 0.3609
 IR Inten    --      2.4354                 2.4415                 1.9122
 RamAct Fr= 1--      0.2303                 0.2363                 0.0002
  Dep-P Fr= 1--      0.7497                 0.7071                 0.1877
  Dep-U Fr= 1--      0.8569                 0.8284                 0.3160
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0329                 0.0326                 0.0000
 AlphaG Fr= 1--      0.0000                 0.0002                 0.0000
 Gamma2 Fr= 1--      0.5839                 0.5852                -0.0000
 Delta2 Fr= 1--      0.3709                 0.3701                 0.0000
 Raman1 Fr= 1--       0.921                  0.945                  0.001
 ROA1   Fr= 1--      67.926                 68.023                 -0.004
 CID1   Fr= 1--      73.742                 71.962                 -6.386
 Raman2 Fr= 1--       0.395                  0.392                  0.000
 ROA2   Fr= 1--      11.047                 11.084                 -0.001
 CID2   Fr= 1--      27.990                 28.308                -10.171
 Raman3 Fr= 1--       0.789                  0.783                  0.000
 ROA3   Fr= 1--      67.926                 68.023                 -0.004
 CID3   Fr= 1--      86.055                 86.867                -20.206
 RC180  Fr= 1--       0.714                  0.657                 -0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.01     0.02   0.09  -0.02    -0.01  -0.07   0.01
     2   6     0.04  -0.00   0.01    -0.08   0.01  -0.02     0.07  -0.01   0.01
     3   7     0.00   0.02  -0.02     0.02  -0.03   0.08    -0.03   0.02  -0.07
     4  45    -0.01  -0.00  -0.00     0.00  -0.01   0.00     0.00   0.00   0.04
     5   7    -0.00   0.02  -0.04     0.03  -0.03   0.07    -0.01   0.03  -0.07
     6   7     0.00  -0.03  -0.04    -0.02  -0.03  -0.07    -0.02  -0.02  -0.07
     7   6     0.06   0.02   0.01     0.06   0.03   0.02     0.06   0.02   0.01
     8   6    -0.02   0.05   0.02    -0.03   0.07   0.02    -0.03   0.06   0.01
     9   7    -0.00  -0.03  -0.06    -0.02  -0.02  -0.06    -0.00  -0.03  -0.07
    10   7    -0.04  -0.00   0.08     0.01   0.01  -0.03     0.03   0.02  -0.07
    11   6     0.06   0.08  -0.02    -0.01  -0.00   0.00    -0.04  -0.05   0.01
    12   6     0.07  -0.06  -0.02    -0.01   0.02   0.00    -0.05   0.04   0.01
    13   7    -0.04  -0.01   0.08     0.00   0.01   0.00     0.03  -0.01  -0.07
    14   1    -0.12   0.16   0.10    -0.14   0.20   0.12    -0.14   0.21   0.12
    15   1    -0.03  -0.11   0.11    -0.05  -0.12   0.12    -0.03  -0.14   0.13
    16   1     0.19   0.04   0.10     0.25   0.04   0.13     0.25   0.04   0.12
    17   1    -0.03  -0.09   0.09    -0.07  -0.12   0.13    -0.07  -0.12   0.13
    18   1     0.13   0.28  -0.16    -0.02  -0.05   0.03    -0.11  -0.23   0.12
    19   1    -0.16  -0.03  -0.16     0.03   0.02   0.03     0.14   0.04   0.13
    20   1     0.20  -0.24  -0.16    -0.03   0.03   0.02    -0.16   0.19   0.12
    21   1    -0.17  -0.01  -0.16     0.02   0.02   0.01     0.14  -0.01   0.13
    22   1     0.11   0.01   0.06    -0.29  -0.02  -0.15     0.25   0.02   0.12
    23   1    -0.03   0.05   0.05     0.10  -0.12  -0.15    -0.10   0.10   0.13
    24   1    -0.04  -0.12   0.06     0.10   0.27  -0.15    -0.09  -0.24   0.12
    25   1    -0.03   0.06   0.07     0.09  -0.12  -0.15    -0.07   0.13   0.13
    26   1    -0.03   0.04   0.09     0.02  -0.10  -0.12    -0.00   0.09   0.06
    27   1    -0.05   0.13  -0.11     0.11  -0.17   0.16    -0.08   0.10  -0.12
    28   1    -0.04   0.00   0.02     0.09  -0.07  -0.15    -0.08   0.03   0.06
    29   1    -0.01   0.04  -0.03     0.17  -0.17   0.19    -0.08   0.10  -0.12
    30   1    -0.11   0.02  -0.15     0.00  -0.02  -0.02     0.08  -0.04   0.06
    31   1    -0.24  -0.00   0.19    -0.02   0.02   0.01     0.13   0.01  -0.12
    32   1    -0.10  -0.05  -0.14     0.03  -0.00   0.06     0.06   0.06   0.06
    33   1    -0.22  -0.05   0.18     0.08   0.04  -0.07     0.13   0.02  -0.12
    34   1    -0.05  -0.04   0.06    -0.06  -0.08   0.14    -0.07  -0.05   0.06
    35   1    -0.03  -0.10  -0.09    -0.12  -0.19  -0.17    -0.05  -0.12  -0.12
    36   1    -0.02  -0.08   0.12     0.01  -0.09   0.09     0.02  -0.08   0.05
    37   1    -0.04  -0.19  -0.15    -0.06  -0.14  -0.13    -0.05  -0.12  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --    689.1541               689.9693               698.5177
 Red. masses --      1.2804                 1.2782                 1.4038
 Frc consts  --      0.3583                 0.3585                 0.4036
 IR Inten    --      1.4153                 1.3810                 1.3084
 RamAct Fr= 1--      0.8504                 0.8499                 0.0015
  Dep-P Fr= 1--      0.7497                 0.7500                 0.2484
  Dep-U Fr= 1--      0.8570                 0.8571                 0.3980
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1215                 0.1214                 0.0001
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      3.9350                 3.9153                 0.0008
 Delta2 Fr= 1--      0.0286                 0.0260                 0.0001
 Raman1 Fr= 1--       3.402                  3.399                  0.006
 ROA1   Fr= 1--     378.679                376.701                  0.077
 CID1   Fr= 1--     111.326                110.812                 12.534
 Raman2 Fr= 1--       1.458                  1.457                  0.001
 ROA2   Fr= 1--      94.212                 93.759                  0.017
 CID2   Fr= 1--      64.638                 64.356                 14.185
 Raman3 Fr= 1--       2.915                  2.914                  0.002
 ROA3   Fr= 1--     378.679                376.701                  0.077
 CID3   Fr= 1--     129.905                129.284                 31.494
 RC180  Fr= 1--       0.714                  0.714                 -0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.02   0.00  -0.01    -0.00   0.03  -0.01
     2   6     0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.03   0.01  -0.01
     3   7    -0.03   0.03   0.01     0.03  -0.06  -0.02     0.01  -0.06  -0.01
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     5   7     0.03  -0.03  -0.02    -0.04   0.05   0.01     0.05  -0.03  -0.01
     6   7     0.02   0.03  -0.00     0.02   0.07  -0.02    -0.00   0.06  -0.01
     7   6    -0.01   0.01   0.01    -0.00   0.02  -0.00    -0.03  -0.02  -0.01
     8   6    -0.00  -0.01   0.01    -0.02  -0.01  -0.00     0.01  -0.03  -0.01
     9   7    -0.02  -0.02   0.02    -0.03  -0.06   0.02     0.05   0.04  -0.01
    10   7    -0.08  -0.00  -0.02    -0.01  -0.01   0.01    -0.06   0.02  -0.01
    11   6    -0.01   0.01   0.00     0.00   0.01   0.01     0.03   0.02  -0.01
    12   6     0.01   0.01  -0.00     0.00  -0.00   0.01     0.03  -0.02  -0.01
    13   7     0.07   0.02   0.02     0.00   0.01   0.01    -0.05  -0.03  -0.01
    14   1     0.06  -0.06  -0.03     0.08  -0.05  -0.01    -0.03  -0.06  -0.06
    15   1     0.00   0.07  -0.04    -0.00   0.06  -0.04     0.04  -0.00   0.01
    16   1     0.02  -0.02  -0.01     0.12  -0.01   0.03    -0.03  -0.06  -0.06
    17   1    -0.01  -0.00   0.00    -0.07  -0.07   0.05    -0.02   0.03   0.00
    18   1    -0.01  -0.12   0.02     0.02   0.03  -0.02     0.07   0.01  -0.06
    19   1     0.08   0.05   0.05    -0.03  -0.01  -0.02    -0.02   0.03   0.00
    20   1     0.04  -0.11  -0.02     0.03  -0.04  -0.02     0.07   0.01  -0.06
    21   1    -0.08   0.02  -0.05    -0.04   0.01  -0.02    -0.01  -0.04   0.00
    22   1    -0.03  -0.02   0.00     0.11   0.04   0.03    -0.04   0.05  -0.06
    23   1     0.02  -0.01  -0.01    -0.08   0.05   0.05    -0.02  -0.03   0.00
    24   1    -0.05  -0.08   0.03     0.05   0.06  -0.01    -0.04   0.06  -0.06
    25   1    -0.02   0.08   0.04     0.01  -0.05  -0.03     0.04   0.01   0.00
    26   1    -0.09  -0.05   0.23     0.10   0.07  -0.29    -0.12  -0.11   0.24
    27   1    -0.07   0.18  -0.14     0.07  -0.22   0.17    -0.04   0.20  -0.14
    28   1    -0.06  -0.04  -0.18     0.11   0.10   0.32     0.14   0.10   0.25
    29   1     0.12  -0.07   0.10    -0.21   0.15  -0.20    -0.19   0.09  -0.15
    30   1     0.01  -0.16  -0.36    -0.00  -0.03  -0.05    -0.03   0.17   0.25
    31   1    -0.29   0.05   0.22    -0.05  -0.00   0.04     0.20  -0.07  -0.14
    32   1     0.03  -0.16   0.37    -0.01   0.01   0.00     0.01  -0.17   0.24
    33   1     0.27   0.13  -0.23    -0.01   0.01   0.01     0.17   0.11  -0.14
    34   1     0.05  -0.02   0.14     0.14  -0.07   0.34     0.15  -0.06   0.24
    35   1    -0.07  -0.08  -0.08    -0.18  -0.22  -0.21    -0.15  -0.13  -0.14
    36   1     0.08  -0.02  -0.18     0.12  -0.05  -0.32    -0.16   0.07   0.26
    37   1     0.02   0.15   0.11     0.02   0.25   0.19     0.01  -0.21  -0.15
                     28                     29                     30
                      A                      A                      A
 Frequencies --    716.1516               771.0379               771.9750
 Red. masses --      1.3168                 1.4415                 1.4397
 Frc consts  --      0.3979                 0.5049                 0.5055
 IR Inten    --      0.0013                17.4278                17.5667
 RamAct Fr= 1--      1.9801                 0.8049                 0.7979
  Dep-P Fr= 1--      0.1191                 0.7500                 0.7494
  Dep-U Fr= 1--      0.2128                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0331                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0702                 0.1150                 0.1139
 AlphaG Fr= 1--     -0.3507                -0.0000                -0.0000
 Gamma2 Fr= 1--     -2.9144                -1.8928                -1.8590
 Delta2 Fr= 1--      0.4571                -0.0089                -0.0058
 Raman1 Fr= 1--       7.921                  3.220                  3.192
 ROA1   Fr= 1--    -265.157               -181.996               -178.647
 CID1   Fr= 1--     -33.477                -56.528                -55.971
 Raman2 Fr= 1--       0.843                  1.380                  1.367
 ROA2   Fr= 1--     -73.603                -45.357                -44.568
 CID2   Fr= 1--     -87.335                -32.871                -32.596
 Raman3 Fr= 1--       1.686                  2.760                  2.735
 ROA3   Fr= 1--    -265.157               -181.996               -178.647
 CID3   Fr= 1--    -157.313                -65.949                -65.329
 RC180  Fr= 1--      -0.574                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.00    -0.00  -0.03  -0.01     0.01  -0.03  -0.01
     2   6     0.00   0.02  -0.00     0.02  -0.01  -0.01     0.04  -0.01  -0.01
     3   7    -0.03   0.05   0.01    -0.03   0.04   0.01    -0.04   0.06   0.02
     4  45     0.00   0.00   0.00     0.02  -0.00   0.00    -0.00  -0.02   0.00
     5   7     0.04  -0.05  -0.01    -0.04   0.04   0.01    -0.05   0.05   0.01
     6   7     0.02   0.06  -0.01    -0.01  -0.03   0.00     0.02   0.08  -0.02
     7   6    -0.01   0.01   0.00     0.01   0.01  -0.00    -0.03  -0.02   0.01
     8   6    -0.02  -0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.04   0.01
     9   7    -0.03  -0.05   0.01    -0.02  -0.03   0.01     0.04   0.07  -0.01
    10   7     0.06   0.00   0.01    -0.09  -0.00  -0.02     0.01   0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.03   0.03   0.01    -0.00   0.00  -0.00
    12   6    -0.01  -0.01   0.00     0.04  -0.02   0.01    -0.01   0.01  -0.00
    13   7    -0.06  -0.01  -0.01    -0.09  -0.02  -0.02     0.01   0.01   0.01
    14   1     0.06  -0.05  -0.02     0.01   0.06   0.04    -0.01  -0.14  -0.11
    15   1     0.00   0.08  -0.04    -0.02  -0.02   0.00     0.05   0.07  -0.01
    16   1     0.08  -0.01   0.02     0.04   0.04   0.05    -0.09  -0.11  -0.11
    17   1    -0.06  -0.06   0.04    -0.01  -0.04   0.00     0.01   0.08  -0.01
    18   1     0.01   0.08  -0.02     0.14   0.06  -0.12    -0.02  -0.01   0.02
    19   1    -0.07  -0.04  -0.04    -0.09   0.01  -0.01     0.02   0.01   0.00
    20   1    -0.03   0.07   0.02     0.15  -0.03  -0.12    -0.02  -0.00   0.01
    21   1     0.08  -0.02   0.04    -0.08  -0.03  -0.01     0.01   0.01   0.00
    22   1    -0.08  -0.03  -0.02     0.08  -0.05   0.07     0.10  -0.07   0.09
    23   1     0.07  -0.04  -0.04    -0.03   0.05   0.01    -0.02   0.07   0.01
    24   1    -0.05  -0.07   0.02     0.03  -0.09   0.07     0.04  -0.12   0.09
    25   1    -0.02   0.08   0.04    -0.04   0.03   0.01    -0.05   0.05   0.01
    26   1    -0.10  -0.08   0.26     0.10   0.09  -0.21     0.12   0.11  -0.27
    27   1    -0.08   0.19  -0.16     0.03  -0.17   0.13     0.04  -0.22   0.15
    28   1    -0.10  -0.07  -0.26    -0.11  -0.06  -0.20    -0.14  -0.09  -0.27
    29   1     0.16  -0.13   0.16     0.15  -0.08   0.12     0.20  -0.10   0.16
    30   1    -0.02   0.12   0.26    -0.05   0.20   0.34     0.01  -0.03  -0.05
    31   1     0.20  -0.03  -0.16     0.26  -0.09  -0.20    -0.04   0.02   0.03
    32   1    -0.01   0.12  -0.25     0.01  -0.20   0.33     0.00   0.02  -0.04
    33   1    -0.18  -0.08   0.15     0.23   0.16  -0.20    -0.03  -0.02   0.02
    34   1     0.12  -0.05   0.26    -0.07   0.02  -0.13     0.18  -0.06   0.31
    35   1    -0.13  -0.17  -0.16     0.08   0.07   0.07    -0.20  -0.17  -0.19
    36   1     0.11  -0.05  -0.25     0.07  -0.04  -0.13    -0.17   0.09   0.31
    37   1     0.03   0.20   0.16    -0.01   0.11   0.08     0.02  -0.26  -0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.4167               866.4630               868.8075
 Red. masses --      3.0280                 3.0075                 3.2052
 Frc consts  --      1.3392                 1.3303                 1.4254
 IR Inten    --     14.2994                14.2424                 0.0312
 RamAct Fr= 1--      0.7501                 0.7963                 8.3653
  Dep-P Fr= 1--      0.7390                 0.7254                 0.0223
  Dep-U Fr= 1--      0.8499                 0.8408                 0.0437
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.1764
 Beta2  Fr= 1--      0.1063                 0.1116                 0.0609
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0152
 Gamma2 Fr= 1--      2.6761                 2.8410                -2.6982
 Delta2 Fr= 1--      1.6603                 1.6815                -1.6726
 Raman1 Fr= 1--       3.000                  3.185                 33.461
 ROA1   Fr= 1--     310.036                326.547               -312.553
 CID1   Fr= 1--     103.334                102.519                 -9.341
 Raman2 Fr= 1--       1.275                  1.339                  0.730
 ROA2   Fr= 1--      50.944                 54.733                -51.376
 CID2   Fr= 1--      39.956                 40.872                -70.347
 Raman3 Fr= 1--       2.550                  2.678                  1.461
 ROA3   Fr= 1--     310.036                326.547               -312.553
 CID3   Fr= 1--     121.582                121.925               -213.982
 RC180  Fr= 1--       0.700                  0.682                 -0.913
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.07     0.04   0.16  -0.03    -0.03  -0.13   0.02
     2   6     0.04  -0.01   0.07     0.16  -0.00   0.01    -0.13   0.00  -0.00
     3   7     0.02   0.04  -0.04    -0.06  -0.09   0.06     0.05   0.07  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.08  -0.03  -0.06    -0.08  -0.03  -0.05     0.07   0.03   0.04
     6   7    -0.09   0.08   0.08     0.01  -0.02  -0.02    -0.09   0.07   0.07
     7   6     0.15   0.04  -0.01     0.06   0.03   0.08     0.14   0.04  -0.01
     8   6     0.07  -0.14  -0.04     0.04  -0.05   0.06     0.07  -0.13  -0.04
     9   7    -0.07   0.01  -0.04    -0.10   0.01  -0.07    -0.07   0.01  -0.03
    10   7    -0.05   0.12   0.08     0.00  -0.01   0.00     0.04  -0.10  -0.07
    11   6    -0.06  -0.12  -0.03     0.07   0.10  -0.07     0.07   0.12  -0.00
    12   6     0.11  -0.09  -0.06    -0.07   0.08  -0.05    -0.11   0.10   0.03
    13   7     0.00   0.04  -0.02    -0.02  -0.12   0.08    -0.01  -0.08   0.04
    14   1    -0.05  -0.00   0.06     0.06  -0.16  -0.05    -0.05   0.00   0.05
    15   1    -0.08  -0.37  -0.07     0.02   0.09  -0.04    -0.08  -0.35  -0.07
    16   1     0.08   0.07  -0.01    -0.13  -0.02  -0.08     0.07   0.08  -0.00
    17   1     0.12   0.18   0.08     0.18   0.28   0.03     0.11   0.17   0.07
    18   1    -0.11  -0.09   0.01    -0.03  -0.11   0.08     0.08   0.02   0.01
    19   1    -0.12  -0.04   0.07     0.38   0.12  -0.05     0.23   0.08  -0.07
    20   1    -0.02   0.07   0.07    -0.14   0.08   0.04    -0.03  -0.04  -0.04
    21   1     0.40  -0.02  -0.06    -0.03   0.00   0.06    -0.33   0.02   0.07
    22   1    -0.15  -0.00  -0.07     0.06  -0.05  -0.03    -0.05   0.04   0.02
    23   1     0.20  -0.19   0.01     0.20  -0.18   0.08    -0.16   0.15  -0.06
    24   1     0.02   0.16  -0.06    -0.04   0.03   0.04     0.03  -0.02  -0.03
    25   1     0.07  -0.14  -0.02    -0.15   0.29  -0.08     0.13  -0.24   0.06
    26   1    -0.02   0.01  -0.13    -0.15  -0.12  -0.11     0.12   0.10   0.10
    27   1     0.00  -0.02  -0.03    -0.05  -0.07  -0.03     0.03   0.06   0.01
    28   1    -0.06  -0.02  -0.08    -0.15  -0.12   0.14     0.12   0.09  -0.13
    29   1    -0.02  -0.02  -0.02    -0.08  -0.03   0.03     0.06   0.01  -0.02
    30   1    -0.04   0.18  -0.04    -0.00  -0.12   0.17     0.03  -0.18   0.09
    31   1    -0.02   0.07  -0.01     0.03  -0.05   0.04     0.03  -0.07   0.02
    32   1    -0.03   0.15   0.17     0.00  -0.15   0.00     0.02  -0.17  -0.13
    33   1     0.02   0.07   0.04    -0.00  -0.07   0.00    -0.01  -0.08  -0.03
    34   1    -0.16   0.08   0.16    -0.10   0.02  -0.05    -0.16   0.07   0.15
    35   1    -0.08   0.01   0.04    -0.04   0.01  -0.01    -0.07   0.00   0.04
    36   1    -0.18   0.08  -0.08    -0.06   0.00  -0.15    -0.16   0.08  -0.08
    37   1    -0.07   0.05  -0.02    -0.01   0.03  -0.03    -0.06   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9604               869.0746               878.0459
 Red. masses --      2.6494                 2.6150                 2.4581
 Frc consts  --      1.1787                 1.1637                 1.1165
 IR Inten    --      0.0504                 0.0109                 0.2974
 RamAct Fr= 1--      3.3919                 3.2903                 0.0013
  Dep-P Fr= 1--      0.6645                 0.7455                 0.4417
  Dep-U Fr= 1--      0.7984                 0.8542                 0.6128
 Alpha2 Fr= 1--      0.0052                 0.0003                 0.0000
 Beta2  Fr= 1--      0.4514                 0.4684                 0.0001
 AlphaG Fr= 1--      0.0005                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.5527                -0.2960                 0.0005
 Delta2 Fr= 1--     -0.9292                -0.8788                -0.0001
 Raman1 Fr= 1--      13.568                 13.161                  0.005
 ROA1   Fr= 1--     -82.794                -56.538                  0.042
 CID1   Fr= 1--      -6.102                 -4.296                  7.978
 Raman2 Fr= 1--       5.416                  5.621                  0.002
 ROA2   Fr= 1--      -5.832                 -0.073                  0.013
 CID2   Fr= 1--      -1.077                 -0.013                  7.694
 Raman3 Fr= 1--      10.833                 11.242                  0.003
 ROA3   Fr= 1--     -82.794                -56.538                  0.042
 CID3   Fr= 1--      -7.643                 -5.029                 13.019
 RC180  Fr= 1--       0.597                  0.708                  0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.11  -0.00     0.01  -0.03   0.12     0.01  -0.01   0.09
     2   6     0.12  -0.00   0.03    -0.00  -0.02   0.11     0.00  -0.01   0.09
     3   7    -0.04  -0.04   0.04     0.06   0.09  -0.09     0.05   0.05  -0.08
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.01
     5   7    -0.07  -0.04  -0.06    -0.09  -0.02  -0.08    -0.06  -0.03  -0.08
     6   7    -0.07   0.06   0.08     0.01   0.00  -0.01     0.06  -0.04  -0.08
     7   6     0.01  -0.02  -0.10    -0.09  -0.03  -0.06     0.00   0.01   0.09
     8   6    -0.00  -0.03  -0.11    -0.05   0.07  -0.03     0.01   0.01   0.09
     9   7     0.09   0.00   0.07     0.09  -0.02   0.07    -0.07   0.01  -0.08
    10   7     0.04  -0.09  -0.09    -0.02   0.02   0.02     0.02  -0.07  -0.08
    11   6     0.00   0.03   0.08     0.04   0.06  -0.08    -0.01   0.00   0.09
    12   6    -0.04   0.02   0.10    -0.03   0.05  -0.06    -0.01  -0.01   0.09
    13   7     0.02   0.06  -0.05    -0.01  -0.10   0.08     0.00   0.07  -0.08
    14   1    -0.10   0.21   0.11     0.01   0.10   0.03     0.05  -0.20  -0.11
    15   1    -0.08  -0.33  -0.00    -0.00   0.07   0.03     0.08   0.27   0.02
    16   1     0.19   0.09   0.10     0.12  -0.01   0.07    -0.18  -0.10  -0.11
    17   1    -0.14  -0.24  -0.00    -0.19  -0.28  -0.03     0.13   0.25   0.02
    18   1     0.13   0.13  -0.08    -0.07  -0.16   0.09     0.14   0.14  -0.11
    19   1    -0.18  -0.04  -0.01     0.35   0.11  -0.02    -0.27  -0.06   0.02
    20   1     0.14  -0.15  -0.10    -0.13   0.06   0.06     0.17  -0.10  -0.11
    21   1    -0.36   0.02   0.01     0.07   0.01   0.02    -0.28  -0.01   0.02
    22   1    -0.05  -0.05  -0.04    -0.24   0.03  -0.11    -0.20   0.05  -0.12
    23   1     0.23  -0.20   0.04     0.22  -0.22  -0.00     0.19  -0.21   0.02
    24   1    -0.06   0.03   0.01     0.04   0.24  -0.12     0.00   0.21  -0.12
    25   1    -0.08   0.19  -0.04     0.17  -0.32   0.01     0.15  -0.24   0.02
    26   1    -0.12  -0.08  -0.07     0.01   0.05  -0.13    -0.03   0.02  -0.05
    27   1    -0.07  -0.05  -0.06     0.02   0.01  -0.05    -0.03   0.03  -0.09
    28   1    -0.12  -0.09   0.03    -0.03   0.03  -0.14    -0.01   0.03  -0.05
    29   1    -0.07  -0.05   0.04    -0.00   0.00  -0.06    -0.03   0.03  -0.09
    30   1     0.04  -0.06  -0.10    -0.02  -0.07   0.10     0.03   0.02  -0.04
    31   1     0.00  -0.04  -0.02    -0.00  -0.05   0.07     0.04   0.00  -0.09
    32   1     0.04  -0.03  -0.11    -0.01  -0.10   0.07     0.03  -0.01  -0.05
    33   1     0.01  -0.02  -0.07     0.01  -0.06   0.00     0.04   0.00  -0.09
    34   1     0.02   0.03   0.12     0.12  -0.03   0.02     0.00  -0.03  -0.05
    35   1    -0.00   0.01   0.06     0.07  -0.03  -0.02    -0.02  -0.04  -0.09
    36   1    -0.02   0.04   0.13     0.10  -0.02   0.08    -0.03  -0.02  -0.05
    37   1    -0.02   0.01   0.04     0.06  -0.02   0.06    -0.02  -0.04  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --    980.6483               983.4730               983.5712
 Red. masses --      2.2217                 2.2430                 2.2466
 Frc consts  --      1.2588                 1.2782                 1.2805
 IR Inten    --     12.9008                 0.0167                 0.0172
 RamAct Fr= 1--      0.0109                 4.5535                 4.5593
  Dep-P Fr= 1--      0.7470                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8552                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0016                 0.6505                 0.6513
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0016                 0.7585                 0.7672
 Delta2 Fr= 1--     -0.0037                -1.6082                -1.6022
 Raman1 Fr= 1--       0.044                 18.214                 18.237
 ROA1   Fr= 1--       0.033                 21.350                 22.385
 CID1   Fr= 1--       0.746                  1.172                  1.227
 Raman2 Fr= 1--       0.019                  7.806                  7.816
 ROA2   Fr= 1--       0.068                 31.069                 31.231
 CID2   Fr= 1--       3.627                  3.980                  3.996
 Raman3 Fr= 1--       0.037                 15.612                 15.632
 ROA3   Fr= 1--       0.033                 21.350                 22.385
 CID3   Fr= 1--       0.872                  1.368                  1.432
 RC180  Fr= 1--       0.710                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07   0.00     0.05   0.03  -0.00    -0.13  -0.10  -0.01
     2   6    -0.09  -0.07   0.00    -0.04  -0.03   0.01     0.13   0.10  -0.00
     3   7     0.04   0.03  -0.01     0.02   0.01  -0.01    -0.07  -0.04   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.04  -0.03  -0.01    -0.02  -0.02  -0.00     0.06   0.05   0.02
     6   7     0.05  -0.02  -0.01     0.05  -0.02  -0.02     0.05  -0.02  -0.01
     7   6    -0.11   0.05   0.00    -0.11   0.04   0.01    -0.11   0.05   0.00
     8   6     0.11  -0.05   0.00     0.12  -0.05   0.00     0.11  -0.05   0.01
     9   7    -0.05   0.02  -0.01    -0.05   0.03  -0.01    -0.05   0.02  -0.02
    10   7     0.01  -0.06  -0.02    -0.01   0.08   0.02     0.00  -0.02  -0.00
    11   6    -0.02   0.13   0.00     0.02  -0.16  -0.01    -0.01   0.04  -0.00
    12   6     0.02  -0.13   0.00    -0.02   0.16  -0.00     0.01  -0.03   0.01
    13   7    -0.01   0.06  -0.02     0.01  -0.08   0.02    -0.00   0.02  -0.01
    14   1    -0.00   0.13   0.15    -0.03   0.14   0.14    -0.00   0.10   0.13
    15   1     0.13  -0.19   0.12     0.14  -0.21   0.14     0.13  -0.18   0.12
    16   1     0.10   0.09   0.15     0.08   0.08   0.14     0.11   0.07   0.14
    17   1    -0.23  -0.05   0.12    -0.23  -0.03   0.12    -0.24  -0.04   0.13
    18   1    -0.12  -0.07   0.16     0.13   0.09  -0.18    -0.04  -0.05   0.04
    19   1     0.11   0.22   0.13    -0.13  -0.28  -0.17     0.04   0.07   0.05
    20   1    -0.13   0.04   0.16     0.15  -0.07  -0.18    -0.02  -0.01   0.04
    21   1     0.16  -0.19   0.13    -0.20   0.25  -0.17     0.03  -0.05   0.03
    22   1     0.11  -0.06   0.14     0.02  -0.03   0.06    -0.16   0.06  -0.19
    23   1    -0.22  -0.01   0.11    -0.09  -0.02   0.05     0.33   0.03  -0.18
    24   1     0.03  -0.12   0.14    -0.00  -0.07   0.06    -0.03   0.16  -0.19
    25   1     0.07   0.21   0.11     0.03   0.11   0.06    -0.12  -0.30  -0.18
    26   1    -0.11  -0.11  -0.04    -0.04  -0.04  -0.00     0.17   0.16   0.04
    27   1    -0.05  -0.08  -0.00    -0.05  -0.05  -0.01     0.10   0.12   0.01
    28   1     0.14   0.08  -0.04     0.07   0.04  -0.02    -0.19  -0.11   0.03
    29   1     0.09   0.03  -0.00     0.03   0.01  -0.00    -0.16  -0.07   0.01
    30   1    -0.04   0.17  -0.05     0.05  -0.21   0.03    -0.02   0.06  -0.02
    31   1    -0.05   0.10  -0.00     0.05  -0.16   0.01    -0.01   0.01  -0.00
    32   1     0.00  -0.18  -0.04    -0.00   0.22   0.03     0.00  -0.04   0.00
    33   1    -0.02  -0.11  -0.00     0.02   0.15   0.01     0.00  -0.06  -0.01
    34   1     0.16  -0.04  -0.04     0.17  -0.05  -0.03     0.15  -0.04  -0.02
    35   1     0.11  -0.01  -0.00     0.10  -0.01  -0.01     0.13  -0.03  -0.01
    36   1    -0.15   0.08  -0.04    -0.14   0.08  -0.02    -0.15   0.08  -0.03
    37   1    -0.08   0.07  -0.00    -0.12   0.07  -0.01    -0.08   0.06  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.4770              1001.5054              1006.7972
 Red. masses --      1.2593                 1.2586                 1.2611
 Frc consts  --      0.7442                 0.7438                 0.7532
 IR Inten    --      6.2414                 6.3425                 0.0080
 RamAct Fr= 1--      0.2100                 0.2168                 1.2830
  Dep-P Fr= 1--      0.7428                 0.7464                 0.0629
  Dep-U Fr= 1--      0.8524                 0.8548                 0.1184
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0246
 Beta2  Fr= 1--      0.0298                 0.0309                 0.0253
 AlphaG Fr= 1--      0.0002                 0.0001                 0.2105
 Gamma2 Fr= 1--      1.0611                 1.0705                -0.6839
 Delta2 Fr= 1--     -0.1995                -0.2065                -0.2142
 Raman1 Fr= 1--       0.840                  0.867                  5.132
 ROA1   Fr= 1--      95.483                 96.159                -72.509
 CID1   Fr= 1--     113.656                110.875                -14.128
 Raman2 Fr= 1--       0.358                  0.371                  0.304
 ROA2   Fr= 1--      27.063                 27.344                -14.700
 CID2   Fr= 1--      75.579                 73.770                -48.402
 Raman3 Fr= 1--       0.716                  0.741                  0.607
 ROA3   Fr= 1--      95.483                 96.159                -72.509
 CID3   Fr= 1--     133.331                129.709               -119.377
 RC180  Fr= 1--       0.705                  0.710                 -0.763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.05    -0.00  -0.01   0.00     0.04  -0.03  -0.04
     2   6     0.02  -0.06  -0.05     0.01   0.01   0.01    -0.01   0.05   0.04
     3   7    -0.01   0.01   0.02    -0.00   0.00  -0.01     0.00  -0.01  -0.01
     4  45    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.01  -0.02    -0.00   0.00  -0.01    -0.01   0.00   0.01
     6   7     0.00  -0.00   0.01     0.00   0.01  -0.01     0.00  -0.01   0.01
     7   6    -0.01   0.04  -0.03    -0.01  -0.06   0.04     0.00   0.05  -0.04
     8   6    -0.02  -0.03   0.02     0.04   0.04  -0.04    -0.03  -0.03   0.04
     9   7     0.00   0.01  -0.00    -0.00  -0.00   0.02     0.01   0.01  -0.01
    10   7    -0.00   0.00  -0.01    -0.01  -0.00  -0.01    -0.01   0.00  -0.01
    11   6     0.03  -0.02   0.03     0.06  -0.01   0.04     0.04  -0.01   0.03
    12   6    -0.03  -0.01  -0.02    -0.05  -0.03  -0.05    -0.04  -0.02  -0.04
    13   7     0.01  -0.00   0.00     0.00   0.00   0.02     0.01   0.00   0.01
    14   1     0.12  -0.10   0.00    -0.19   0.19   0.03     0.16  -0.16  -0.02
    15   1    -0.02   0.09  -0.06     0.03  -0.20   0.09    -0.02   0.16  -0.07
    16   1     0.17   0.01   0.03    -0.26   0.01  -0.01     0.23  -0.01   0.02
    17   1    -0.11  -0.08   0.05     0.14   0.10  -0.09    -0.13  -0.10   0.07
    18   1     0.05   0.16  -0.03     0.06   0.26  -0.01     0.05   0.21  -0.02
    19   1    -0.11  -0.08  -0.06    -0.14  -0.12  -0.10    -0.12  -0.09  -0.07
    20   1    -0.06   0.14  -0.00    -0.14   0.24   0.03    -0.10   0.19   0.02
    21   1     0.08  -0.04   0.06     0.19  -0.08   0.10     0.14  -0.06   0.07
    22   1     0.29   0.09   0.02    -0.02   0.01  -0.02    -0.22  -0.07  -0.02
    23   1    -0.20   0.08   0.11     0.03  -0.02   0.00     0.15  -0.06  -0.08
    24   1     0.16   0.26  -0.03    -0.01   0.01  -0.02    -0.12  -0.20   0.02
    25   1     0.02  -0.22  -0.11     0.01  -0.02   0.00    -0.02   0.16   0.08
    26   1    -0.15  -0.16  -0.04     0.00   0.01  -0.00     0.12   0.13   0.02
    27   1     0.24   0.23  -0.00    -0.01  -0.01  -0.00    -0.17  -0.16   0.01
    28   1    -0.20  -0.10   0.04     0.01   0.01  -0.00     0.16   0.08  -0.03
    29   1     0.28   0.17   0.00    -0.00   0.00  -0.00    -0.20  -0.12  -0.00
    30   1     0.04  -0.11   0.02     0.06  -0.19   0.03     0.05  -0.15   0.02
    31   1    -0.04   0.18  -0.00    -0.07   0.29   0.00    -0.05   0.21   0.00
    32   1    -0.00  -0.12  -0.02    -0.01  -0.20  -0.03    -0.01  -0.16  -0.02
    33   1    -0.00   0.17  -0.01    -0.01   0.30  -0.00    -0.01   0.22  -0.00
    34   1    -0.12   0.03   0.02     0.19  -0.04  -0.03    -0.17   0.03   0.02
    35   1     0.16  -0.05   0.00    -0.28   0.08  -0.00     0.22  -0.07   0.00
    36   1    -0.10   0.07  -0.02     0.16  -0.10   0.03    -0.14   0.10  -0.02
    37   1     0.16  -0.09   0.00    -0.25   0.13   0.00     0.20  -0.11  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1049.6630              1049.7303              1049.9257
 Red. masses --      3.1624                 3.1638                 3.1584
 Frc consts  --      2.0529                 2.0541                 2.0513
 IR Inten    --     31.9824                52.0744                55.1355
 RamAct Fr= 1--      1.6512                 1.0864                 0.9961
  Dep-P Fr= 1--      0.4007                 0.4876                 0.5133
  Dep-U Fr= 1--      0.5721                 0.6556                 0.6784
 Alpha2 Fr= 1--      0.0122                 0.0057                 0.0046
 Beta2  Fr= 1--      0.1575                 0.1187                 0.1126
 AlphaG Fr= 1--      0.0296                 0.0135                 0.0110
 Gamma2 Fr= 1--     -1.6534                -1.5174                -1.5037
 Delta2 Fr= 1--     -1.1753                -1.5077                -1.5523
 Raman1 Fr= 1--       6.605                  4.346                  3.984
 ROA1   Fr= 1--    -196.339               -193.915               -194.031
 CID1   Fr= 1--     -29.726                -44.624                -48.697
 Raman2 Fr= 1--       1.889                  1.424                  1.351
 ROA2   Fr= 1--     -30.280                -24.355                -23.671
 CID2   Fr= 1--     -16.026                -17.098                -17.516
 Raman3 Fr= 1--       3.779                  2.849                  2.703
 ROA3   Fr= 1--    -196.339               -193.915               -194.031
 CID3   Fr= 1--     -51.956                -68.067                -71.788
 RC180  Fr= 1--       0.144                  0.311                  0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.03  -0.01   0.03     0.18  -0.07   0.18
     2   6     0.00  -0.01   0.01    -0.00   0.03  -0.03    -0.02   0.19  -0.18
     3   7     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.11  -0.07   0.07
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00   0.00    -0.02  -0.01  -0.01    -0.10  -0.09  -0.07
     6   7    -0.03   0.01   0.02     0.12  -0.04  -0.07    -0.02   0.01   0.01
     7   6     0.01  -0.04  -0.04    -0.03   0.18   0.17     0.00  -0.03  -0.03
     8   6     0.04   0.02   0.04    -0.15  -0.11  -0.18     0.03   0.02   0.03
     9   7    -0.03   0.01  -0.02     0.12  -0.06   0.07    -0.02   0.01  -0.01
    10   7     0.01  -0.13  -0.07     0.00  -0.03  -0.02    -0.00  -0.01  -0.00
    11   6    -0.17   0.08   0.18    -0.04   0.02   0.04    -0.01   0.00   0.01
    12   6     0.14   0.12  -0.18     0.04   0.03  -0.04     0.01   0.00  -0.00
    13   7     0.02  -0.13   0.07     0.01  -0.03   0.02     0.00  -0.00   0.00
    14   1     0.08   0.02   0.06    -0.27  -0.09  -0.20     0.05   0.02   0.04
    15   1     0.07   0.07   0.05    -0.29  -0.29  -0.21     0.04   0.04   0.04
    16   1     0.03  -0.05  -0.04    -0.13   0.26   0.20     0.01  -0.03  -0.03
    17   1    -0.00  -0.11  -0.05     0.00   0.41   0.21     0.00  -0.07  -0.04
    18   1    -0.22   0.19   0.20    -0.06   0.05   0.06     0.00  -0.00  -0.00
    19   1    -0.40   0.11   0.21    -0.09   0.03   0.05    -0.02   0.00   0.01
    20   1     0.16   0.24  -0.20     0.04   0.05  -0.04     0.01   0.02  -0.01
    21   1     0.36   0.20  -0.21     0.09   0.05  -0.06     0.00   0.00  -0.01
    22   1    -0.00  -0.01   0.01     0.01   0.06  -0.04     0.06   0.29  -0.21
    23   1     0.01  -0.04   0.02    -0.02   0.06  -0.03    -0.11   0.41  -0.22
    24   1    -0.03   0.00  -0.02     0.03  -0.00   0.02     0.30  -0.02   0.21
    25   1    -0.02   0.02  -0.01     0.06  -0.04   0.03     0.36  -0.21   0.22
    26   1    -0.00  -0.01   0.00     0.02   0.02  -0.01     0.11   0.13  -0.07
    27   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01    -0.04  -0.00  -0.08
    28   1    -0.01  -0.01  -0.00     0.02   0.01   0.01     0.15   0.07   0.07
    29   1     0.01   0.00  -0.00     0.01   0.00   0.01    -0.02  -0.04   0.08
    30   1    -0.05   0.16   0.06    -0.01   0.05   0.02    -0.00   0.00   0.00
    31   1    -0.02  -0.04   0.08    -0.01  -0.02   0.03    -0.01   0.01   0.00
    32   1     0.01   0.17  -0.06     0.00   0.04  -0.02    -0.00   0.01  -0.00
    33   1     0.03  -0.04  -0.08     0.01   0.00  -0.02     0.00  -0.02  -0.01
    34   1     0.04  -0.01   0.01    -0.16   0.03  -0.06     0.03  -0.01   0.01
    35   1    -0.02   0.01   0.02     0.02  -0.04  -0.08    -0.02   0.01   0.02
    36   1     0.03  -0.02  -0.02    -0.14   0.09   0.06     0.02  -0.01  -0.01
    37   1     0.00  -0.00  -0.01     0.05   0.01   0.08     0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.3346              1114.5642              1123.4124
 Red. masses --      1.0233                 1.0232                 1.0327
 Frc consts  --      0.7487                 0.7489                 0.7679
 IR Inten    --      1.3660                 1.4127                 0.2303
 RamAct Fr= 1--      0.8080                 0.7831                 0.0005
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7423
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8521
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1154                 0.1119                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.9768                 0.9817                -0.0000
 Delta2 Fr= 1--      0.2901                 0.2806                 0.0001
 Raman1 Fr= 1--       3.232                  3.132                  0.002
 ROA1   Fr= 1--     103.059                103.219                 -0.000
 CID1   Fr= 1--      31.888                 32.951                 -0.269
 Raman2 Fr= 1--       1.385                  1.342                  0.001
 ROA2   Fr= 1--      21.123                 21.315                 -0.002
 CID2   Fr= 1--      15.251                 15.879                 -1.990
 Raman3 Fr= 1--       2.770                  2.685                  0.002
 ROA3   Fr= 1--     103.059                103.219                 -0.000
 CID3   Fr= 1--      37.205                 38.447                 -0.316
 RC180  Fr= 1--       0.714                  0.714                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00  -0.00
     3   7     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00  -0.00    -0.01  -0.01  -0.01     0.01  -0.00   0.01
     6   7     0.01  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.01   0.01
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.02  -0.00   0.01     0.01   0.01   0.01
    10   7    -0.01   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    13   7    -0.00  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.01
    14   1     0.06   0.03   0.05    -0.24  -0.08  -0.18    -0.19  -0.06  -0.14
    15   1    -0.03  -0.01  -0.03     0.13   0.03   0.12     0.09  -0.00   0.09
    16   1    -0.04   0.06   0.05     0.11  -0.23  -0.19     0.09  -0.18  -0.14
    17   1     0.02  -0.03  -0.03    -0.07   0.12   0.12    -0.07   0.06   0.09
    18   1     0.20  -0.17  -0.19    -0.05   0.05   0.05     0.14  -0.13  -0.13
    19   1    -0.09   0.10   0.12     0.02  -0.03  -0.04    -0.04   0.08   0.08
    20   1     0.15   0.22  -0.19    -0.05  -0.05   0.05     0.10   0.16  -0.13
    21   1    -0.07  -0.12   0.12     0.02   0.03  -0.03    -0.02  -0.09   0.09
    22   1    -0.04  -0.19   0.13    -0.03  -0.19   0.14     0.04   0.19  -0.14
    23   1     0.03   0.10  -0.09     0.02   0.09  -0.09    -0.05  -0.08   0.09
    24   1     0.19  -0.02   0.14     0.19  -0.01   0.13    -0.20   0.01  -0.14
    25   1    -0.10   0.00  -0.09    -0.10  -0.01  -0.09     0.09   0.03   0.09
    26   1    -0.08  -0.09  -0.06    -0.07  -0.08  -0.06     0.10   0.11   0.07
    27   1     0.21   0.17   0.02     0.22   0.18   0.02    -0.20  -0.16  -0.02
    28   1     0.10   0.05  -0.06     0.11   0.05  -0.06    -0.14  -0.07   0.07
    29   1    -0.23  -0.16   0.02    -0.22  -0.15   0.02     0.20   0.15  -0.02
    30   1     0.05  -0.15   0.08    -0.02   0.05  -0.02     0.04  -0.14   0.07
    31   1    -0.06   0.38  -0.03     0.02  -0.10   0.01    -0.04   0.25  -0.02
    32   1     0.01   0.16   0.08    -0.00  -0.04  -0.02     0.01   0.15   0.07
    33   1     0.03  -0.38  -0.03    -0.01   0.12   0.01     0.03  -0.25  -0.02
    34   1     0.03  -0.00  -0.02    -0.16   0.03   0.08    -0.15   0.04   0.07
    35   1    -0.10   0.04   0.00     0.35  -0.13  -0.03     0.24  -0.09  -0.02
    36   1    -0.04   0.03  -0.02     0.13  -0.09   0.08     0.13  -0.08   0.07
    37   1     0.08  -0.04   0.01    -0.34   0.16  -0.03    -0.24   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.3853              1171.8478              1187.6953
 Red. masses --      1.0739                 1.0737                 1.0527
 Frc consts  --      0.8682                 0.8687                 0.8749
 IR Inten    --     69.9888                70.5754                 0.0119
 RamAct Fr= 1--      7.6344                 7.5920                10.7250
  Dep-P Fr= 1--      0.7500                 0.7499                 0.3628
  Dep-U Fr= 1--      0.8571                 0.8570                 0.5324
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0903
 Beta2  Fr= 1--      1.0906                 1.0845                 0.9516
 AlphaG Fr= 1--      0.0000                 0.0001                 0.2889
 Gamma2 Fr= 1--     -2.9144                -2.8441                -2.2678
 Delta2 Fr= 1--      2.8698                 2.8991                -5.7223
 Raman1 Fr= 1--      30.537                 30.368                 42.900
 ROA1   Fr= 1--    -187.953               -180.257               -400.821
 CID1   Fr= 1--      -6.155                 -5.936                 -9.343
 Raman2 Fr= 1--      13.087                 13.013                 11.420
 ROA2   Fr= 1--     -92.905                -91.451                 -8.648
 CID2   Fr= 1--      -7.099                 -7.027                 -0.757
 Raman3 Fr= 1--      26.175                 26.027                 22.839
 ROA3   Fr= 1--    -187.953               -180.257               -400.821
 CID3   Fr= 1--      -7.181                 -6.926                -17.550
 RC180  Fr= 1--       0.714                  0.714                  0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.04  -0.01  -0.00     0.02   0.00  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00  -0.00   0.00    -0.02  -0.04   0.00     0.01   0.02   0.00
     6   7     0.03   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
     9   7     0.02  -0.02  -0.00    -0.01   0.02   0.00    -0.01   0.02  -0.00
    10   7    -0.01  -0.04   0.00    -0.01  -0.02   0.00    -0.01  -0.02  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    13   7     0.02  -0.03  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    14   1    -0.01  -0.00  -0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    15   1     0.19   0.07   0.17    -0.15  -0.07  -0.12    -0.18  -0.05  -0.17
    16   1    -0.02   0.02   0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    17   1     0.08  -0.21  -0.17    -0.06   0.13   0.12    -0.09   0.17   0.17
    18   1    -0.01   0.02   0.01    -0.00  -0.00  -0.00    -0.01   0.02   0.01
    19   1     0.19  -0.15  -0.19     0.08  -0.07  -0.09     0.14  -0.13  -0.17
    20   1     0.01   0.01  -0.01     0.01   0.02  -0.01     0.01   0.03  -0.01
    21   1    -0.14  -0.19   0.19    -0.08  -0.09   0.09    -0.10  -0.16   0.16
    22   1     0.01   0.01  -0.01     0.01   0.02  -0.01    -0.01  -0.02   0.01
    23   1     0.00  -0.03   0.02    -0.04  -0.26   0.21     0.05   0.19  -0.17
    24   1    -0.01  -0.00  -0.00     0.02   0.00   0.01    -0.03  -0.01  -0.01
    25   1    -0.01  -0.01  -0.02    -0.26   0.03  -0.21     0.20  -0.01   0.17
    26   1     0.03   0.02  -0.01     0.29   0.27  -0.01    -0.20  -0.20  -0.01
    27   1     0.00   0.01  -0.00     0.11   0.21  -0.04    -0.07  -0.14   0.03
    28   1     0.03   0.01  -0.01     0.34   0.21   0.01    -0.24  -0.14   0.01
    29   1     0.03   0.01   0.00     0.23   0.05   0.04    -0.15  -0.03  -0.03
    30   1    -0.08   0.35   0.01    -0.04   0.17  -0.01    -0.07   0.26  -0.01
    31   1    -0.11   0.18   0.04    -0.06   0.10   0.02    -0.08   0.12   0.03
    32   1    -0.01   0.36  -0.00    -0.01   0.18  -0.01    -0.00   0.27   0.01
    33   1     0.06   0.21  -0.04     0.03   0.09  -0.02     0.05   0.14  -0.03
    34   1    -0.31   0.09  -0.00     0.22  -0.07   0.01     0.27  -0.08  -0.01
    35   1    -0.20  -0.00  -0.04     0.13   0.01   0.02     0.15   0.01   0.03
    36   1    -0.29   0.15   0.01     0.20  -0.11   0.00     0.23  -0.13   0.01
    37   1    -0.13   0.14   0.03     0.10  -0.10  -0.02     0.10  -0.11  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1222.9506              1223.6111              1247.0553
 Red. masses --      1.2501                 1.2490                 1.2494
 Frc consts  --      1.1015                 1.1018                 1.1447
 IR Inten    --     10.8961                11.2000                13.2719
 RamAct Fr= 1--      6.5672                 6.5111                 0.0023
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7452
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8540
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9381                 0.9302                 0.0003
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      4.7648                 4.8253                 0.0001
 Delta2 Fr= 1--     -0.0387                -0.0013                -0.0005
 Raman1 Fr= 1--      26.269                 26.044                  0.009
 ROA1   Fr= 1--     456.184                463.186                 -0.004
 CID1   Fr= 1--      17.366                 17.785                 -0.440
 Raman2 Fr= 1--      11.257                 11.162                  0.004
 ROA2   Fr= 1--     114.665                115.818                  0.007
 CID2   Fr= 1--      10.186                 10.376                  1.786
 Raman3 Fr= 1--      22.515                 22.324                  0.008
 ROA3   Fr= 1--     456.184                463.186                 -0.004
 CID3   Fr= 1--      20.261                 20.749                 -0.515
 RC180  Fr= 1--       0.714                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.02  -0.04   0.01     0.02   0.03  -0.00
     2   6     0.00  -0.01  -0.01     0.04   0.01   0.01    -0.03  -0.01  -0.00
     3   7     0.00   0.00   0.01    -0.06  -0.01  -0.01     0.05   0.00   0.00
     4  45    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.02   0.06  -0.02    -0.02  -0.05   0.00
     6   7    -0.06  -0.01  -0.01     0.03   0.00   0.01     0.05   0.01   0.00
     7   6     0.04   0.00   0.01    -0.02   0.01  -0.01    -0.03  -0.00  -0.00
     8   6    -0.03   0.02   0.01     0.01  -0.02   0.00     0.02  -0.02  -0.00
     9   7     0.04  -0.04  -0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    10   7    -0.02  -0.05   0.01    -0.01  -0.03   0.01    -0.02  -0.04   0.00
    11   6     0.01   0.04  -0.00     0.00   0.02  -0.01     0.01   0.03  -0.00
    12   6     0.01  -0.03  -0.01     0.02  -0.02   0.00     0.02  -0.03  -0.00
    13   7    -0.03   0.04   0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    14   1     0.04  -0.00   0.01    -0.02  -0.01  -0.00     0.03  -0.00   0.03
    15   1     0.05   0.10   0.06    -0.04  -0.03  -0.05    -0.07  -0.09  -0.07
    16   1    -0.02   0.04   0.01     0.02  -0.01  -0.00    -0.02   0.01   0.02
    17   1     0.02   0.10   0.07    -0.03  -0.06  -0.01    -0.02  -0.11  -0.06
    18   1     0.03  -0.03  -0.01     0.01  -0.03  -0.00    -0.01   0.03   0.02
    19   1     0.09  -0.01  -0.07     0.07   0.02  -0.02     0.11  -0.02  -0.06
    20   1     0.01   0.04  -0.01     0.02   0.02  -0.01    -0.00  -0.03   0.03
    21   1     0.11   0.02  -0.05     0.05   0.03  -0.06     0.11   0.04  -0.06
    22   1     0.01  -0.00   0.00    -0.02  -0.05   0.01    -0.02  -0.02   0.02
    23   1    -0.03   0.00   0.02     0.06  -0.10   0.07    -0.04   0.11  -0.07
    24   1    -0.01   0.01  -0.00     0.05   0.01   0.01     0.02   0.01   0.02
    25   1    -0.01  -0.02  -0.02     0.08  -0.09   0.07    -0.09   0.07  -0.07
    26   1     0.02   0.02   0.03    -0.37  -0.34  -0.00     0.25   0.23   0.02
    27   1    -0.01   0.00  -0.01    -0.06  -0.20   0.06     0.06   0.17  -0.05
    28   1    -0.02  -0.02  -0.03     0.42   0.27  -0.01    -0.29  -0.18   0.02
    29   1    -0.02  -0.01   0.00     0.21   0.00   0.06    -0.18  -0.01  -0.05
    30   1     0.09  -0.42  -0.01     0.06  -0.27   0.03     0.07  -0.32   0.02
    31   1     0.12  -0.14  -0.05     0.08  -0.08  -0.04     0.11  -0.13  -0.05
    32   1    -0.02   0.42   0.02    -0.02   0.28  -0.02    -0.01   0.33   0.02
    33   1     0.09   0.15  -0.05     0.05   0.11  -0.03     0.07   0.16  -0.05
    34   1     0.42  -0.13  -0.02    -0.22   0.07  -0.02    -0.31   0.10   0.02
    35   1     0.18   0.05   0.06    -0.11  -0.02  -0.02    -0.17  -0.03  -0.05
    36   1    -0.40   0.21   0.01     0.21  -0.11   0.03     0.29  -0.16   0.02
    37   1    -0.10   0.16   0.05     0.04  -0.08  -0.03     0.10  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.4991              1291.9223              1299.8811
 Red. masses --      1.3917                 1.3912                 1.3676
 Frc consts  --      1.3677                 1.3681                 1.3615
 IR Inten    --      0.9562                 0.9315                 0.0001
 RamAct Fr= 1--      0.5955                 0.5922                 9.2904
  Dep-P Fr= 1--      0.7490                 0.7499                 0.2390
  Dep-U Fr= 1--      0.8565                 0.8571                 0.3858
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1135
 Beta2  Fr= 1--      0.0850                 0.0846                 0.5974
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0038
 Gamma2 Fr= 1--      0.1191                 0.1125                -1.7273
 Delta2 Fr= 1--     -0.0379                -0.0380                 0.3861
 Raman1 Fr= 1--       2.382                  2.369                 37.161
 ROA1   Fr= 1--      10.225                  9.586               -153.464
 CID1   Fr= 1--       4.293                  4.047                 -4.130
 Raman2 Fr= 1--       1.020                  1.015                  7.169
 ROA2   Fr= 1--       3.162                  3.005                -44.544
 CID2   Fr= 1--       3.100                  2.960                 -6.213
 Raman3 Fr= 1--       2.040                  2.030                 14.338
 ROA3   Fr= 1--      10.225                  9.586               -153.464
 CID3   Fr= 1--       5.012                  4.722                -10.703
 RC180  Fr= 1--       0.713                  0.714                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.04  -0.05  -0.07    -0.03   0.04   0.05
     2   6    -0.01   0.02   0.02    -0.03   0.05   0.07     0.03  -0.04  -0.05
     3   7     0.01  -0.01  -0.01    -0.00  -0.03  -0.02    -0.00   0.02   0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01  -0.00   0.01    -0.03   0.01   0.02     0.02  -0.01  -0.01
     6   7     0.00  -0.02   0.01    -0.01   0.03  -0.01    -0.00   0.02  -0.01
     7   6     0.01   0.04  -0.05    -0.01  -0.05   0.06    -0.02  -0.05   0.05
     8   6    -0.02  -0.04   0.05     0.02   0.05  -0.06     0.02   0.05  -0.05
     9   7     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.02  -0.01   0.01
    10   7     0.03  -0.01   0.02     0.00  -0.01   0.00     0.02  -0.01   0.01
    11   6    -0.06  -0.00  -0.07    -0.01   0.00  -0.01    -0.05  -0.00  -0.05
    12   6     0.06   0.01   0.07     0.01   0.00   0.01     0.05   0.01   0.05
    13   7    -0.03  -0.02  -0.02    -0.01   0.00  -0.00    -0.02  -0.01  -0.01
    14   1    -0.04  -0.17  -0.10     0.04   0.21   0.12     0.08   0.20   0.13
    15   1    -0.02   0.07  -0.02     0.03  -0.07   0.02    -0.02  -0.08  -0.02
    16   1     0.10   0.15   0.10    -0.11  -0.18  -0.12    -0.08  -0.19  -0.13
    17   1    -0.06  -0.02   0.02     0.07   0.04  -0.02     0.04   0.07   0.02
    18   1    -0.26  -0.08   0.15    -0.05  -0.01   0.03    -0.20  -0.03   0.13
    19   1     0.07   0.08   0.03     0.03   0.02   0.00     0.08   0.02  -0.01
    20   1     0.27  -0.01  -0.16     0.05  -0.01  -0.03     0.21   0.02  -0.13
    21   1    -0.09   0.06  -0.03    -0.00   0.01  -0.01    -0.08   0.00   0.01
    22   1    -0.07   0.06  -0.05    -0.19   0.18  -0.15     0.13  -0.16   0.13
    23   1     0.03   0.00  -0.01     0.10  -0.02  -0.03    -0.06   0.06  -0.01
    24   1     0.05  -0.08   0.05     0.12  -0.23   0.15    -0.12   0.17  -0.13
    25   1    -0.00   0.04   0.01     0.01   0.10   0.03     0.04  -0.07   0.01
    26   1    -0.02  -0.03  -0.04    -0.15  -0.15  -0.11     0.10   0.11   0.09
    27   1     0.11   0.09   0.02     0.28   0.20   0.08    -0.20  -0.14  -0.05
    28   1    -0.09  -0.05   0.04    -0.16  -0.09   0.11     0.13   0.07  -0.09
    29   1     0.08   0.07  -0.03     0.28   0.22  -0.08    -0.19  -0.16   0.05
    30   1     0.06  -0.20   0.12     0.02  -0.07   0.02     0.04  -0.14   0.09
    31   1    -0.04   0.37  -0.08    -0.00   0.05  -0.02    -0.02   0.24  -0.05
    32   1    -0.01  -0.21  -0.12    -0.00  -0.01  -0.02    -0.00  -0.15  -0.09
    33   1    -0.06   0.36   0.08    -0.01   0.09   0.01    -0.04   0.24   0.05
    34   1     0.16  -0.04  -0.08    -0.13   0.03   0.09    -0.15   0.04   0.09
    35   1    -0.21   0.10   0.05     0.27  -0.12  -0.06     0.23  -0.10  -0.05
    36   1     0.10  -0.06   0.08    -0.16   0.10  -0.09    -0.13   0.08  -0.09
    37   1    -0.24   0.10  -0.05     0.26  -0.10   0.06     0.23  -0.09   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1330.3753              1330.5205              1343.8680
 Red. masses --      1.1803                 1.1803                 1.1821
 Frc consts  --      1.2309                 1.2311                 1.2578
 IR Inten    --     23.9770                24.2175                 0.0058
 RamAct Fr= 1--      0.7494                 0.7784                 4.2297
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3199
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4847
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0408
 Beta2  Fr= 1--      0.1071                 0.1112                 0.3417
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0509
 Gamma2 Fr= 1--      3.9503                 3.9872                 0.0663
 Delta2 Fr= 1--      1.8730                 1.8967                 0.9547
 Raman1 Fr= 1--       2.997                  3.114                 16.919
 ROA1   Fr= 1--     439.167                443.462                 36.919
 CID1   Fr= 1--     146.515                142.420                  2.182
 Raman2 Fr= 1--       1.285                  1.334                  4.100
 ROA2   Fr= 1--      79.824                 80.518                 -6.045
 CID2   Fr= 1--      62.139                 60.338                 -1.474
 Raman3 Fr= 1--       2.569                  2.669                  8.201
 ROA3   Fr= 1--     439.167                443.462                 36.919
 CID3   Fr= 1--     170.934                166.157                  4.502
 RC180  Fr= 1--       0.714                  0.714                 -0.031
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.01   0.03  -0.02     0.01  -0.02   0.02
     2   6     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.02   0.01  -0.02
     3   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.03     0.03   0.02   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.02  -0.02   0.02    -0.02  -0.03   0.03     0.02   0.02  -0.02
     6   7     0.02  -0.00   0.01    -0.04   0.01  -0.03    -0.03   0.01  -0.02
     7   6    -0.01  -0.02  -0.01     0.02   0.03   0.02     0.01   0.02   0.02
     8   6     0.00   0.02   0.01    -0.01  -0.03  -0.02    -0.00  -0.02  -0.02
     9   7     0.02  -0.01  -0.02    -0.03   0.02   0.03    -0.03   0.01   0.02
    10   7    -0.00  -0.04   0.03     0.00  -0.00   0.00     0.00  -0.03   0.02
    11   6     0.04   0.01  -0.02     0.00   0.00  -0.00     0.02   0.01  -0.02
    12   6    -0.04   0.00   0.02    -0.00  -0.00  -0.00    -0.02   0.00   0.02
    13   7     0.01  -0.04  -0.03     0.00   0.00   0.00     0.01  -0.03  -0.02
    14   1     0.14   0.06   0.11    -0.18  -0.10  -0.16    -0.15  -0.06  -0.12
    15   1    -0.17  -0.03  -0.14     0.24   0.03   0.21     0.19   0.02   0.16
    16   1     0.02  -0.11  -0.09    -0.07   0.21   0.17    -0.07   0.15   0.12
    17   1    -0.08   0.10   0.12     0.15  -0.21  -0.22     0.12  -0.15  -0.16
    18   1     0.22  -0.14  -0.19     0.01  -0.02  -0.01     0.12  -0.11  -0.12
    19   1    -0.18   0.23   0.25    -0.02   0.02   0.02    -0.11   0.15   0.16
    20   1    -0.18  -0.19   0.19    -0.00   0.02  -0.00    -0.09  -0.13   0.12
    21   1     0.12   0.27  -0.25    -0.01  -0.01   0.01     0.07   0.17  -0.16
    22   1     0.01  -0.11   0.08    -0.02  -0.23   0.17     0.03   0.16  -0.12
    23   1     0.05   0.11  -0.11     0.10   0.25  -0.23    -0.08  -0.18   0.16
    24   1    -0.14   0.02  -0.10    -0.21   0.06  -0.17     0.16  -0.02   0.12
    25   1     0.16   0.01   0.13     0.25   0.03   0.22    -0.19  -0.03  -0.16
    26   1     0.06   0.05  -0.03     0.10   0.08  -0.03    -0.09  -0.07   0.04
    27   1     0.07   0.10   0.01     0.11   0.15   0.01    -0.13  -0.17  -0.01
    28   1     0.05   0.03   0.00     0.11   0.08   0.04    -0.09  -0.06  -0.04
    29   1     0.08   0.03  -0.01     0.19   0.07  -0.01    -0.21  -0.08   0.01
    30   1    -0.02   0.15   0.04    -0.00  -0.01  -0.01    -0.02   0.11   0.04
    31   1    -0.10   0.20  -0.01     0.01  -0.01   0.00    -0.09   0.20  -0.01
    32   1    -0.01   0.14  -0.04    -0.00   0.01  -0.02    -0.01   0.11  -0.04
    33   1     0.04   0.22   0.01     0.01   0.02   0.00     0.03   0.22   0.01
    34   1    -0.06   0.02  -0.01     0.12  -0.05   0.04     0.10  -0.04   0.04
    35   1    -0.10   0.01   0.01     0.20  -0.02  -0.01     0.22  -0.03  -0.01
    36   1    -0.08   0.03   0.03     0.11  -0.05  -0.03     0.10  -0.05  -0.04
    37   1    -0.10   0.09  -0.01     0.14  -0.12   0.01     0.17  -0.14   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.4951              1347.6581              1352.1210
 Red. masses --      1.1874                 1.1875                 1.2062
 Frc consts  --      1.2702                 1.2707                 1.2993
 IR Inten    --     11.8610                12.0372                 2.5903
 RamAct Fr= 1--     13.9885                14.0555                 0.0037
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7498
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.9984                 2.0079                 0.0005
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -9.8228                -9.7053                -0.0026
 Delta2 Fr= 1--     -0.3317                -0.2954                -0.0001
 Raman1 Fr= 1--      55.954                 56.222                  0.015
 ROA1   Fr= 1--    -953.601               -941.164                 -0.254
 CID1   Fr= 1--     -17.043                -16.740                -17.156
 Raman2 Fr= 1--      23.980                 24.095                  0.006
 ROA2   Fr= 1--    -233.093               -230.564                 -0.061
 CID2   Fr= 1--      -9.720                 -9.569                 -9.697
 Raman3 Fr= 1--      47.961                 48.189                  0.013
 ROA3   Fr= 1--    -953.601               -941.164                 -0.254
 CID3   Fr= 1--     -19.883                -19.531                -20.019
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.01   0.02   0.04    -0.01  -0.01  -0.04
     2   6    -0.02  -0.00   0.03    -0.02  -0.01   0.04     0.01   0.01  -0.04
     3   7    -0.01  -0.02  -0.02    -0.01  -0.02  -0.03     0.01   0.02   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7     0.02   0.00  -0.02     0.02   0.00  -0.02    -0.02  -0.01   0.02
     6   7    -0.00   0.01  -0.01     0.02  -0.02   0.03     0.02  -0.02   0.02
     7   6    -0.01  -0.00   0.01     0.02  -0.00  -0.05     0.02  -0.01  -0.04
     8   6     0.01  -0.00   0.02    -0.01   0.02  -0.04    -0.01   0.01  -0.04
     9   7     0.01   0.00  -0.01    -0.03  -0.01   0.03    -0.03   0.00   0.02
    10   7     0.02  -0.02   0.03    -0.00   0.00  -0.01     0.01  -0.02   0.02
    11   6    -0.01  -0.02  -0.05     0.00   0.01   0.01     0.00  -0.02  -0.04
    12   6    -0.01   0.02  -0.05    -0.00  -0.00   0.01    -0.00   0.02  -0.04
    13   7     0.01   0.03   0.03    -0.00  -0.01  -0.01     0.00   0.03   0.02
    14   1     0.08  -0.00   0.05    -0.17   0.03  -0.10    -0.11   0.03  -0.06
    15   1    -0.11  -0.04  -0.09     0.28   0.10   0.23     0.23   0.08   0.19
    16   1    -0.04   0.02   0.02     0.15  -0.11  -0.11     0.10  -0.06  -0.06
    17   1     0.04  -0.08  -0.07    -0.13   0.28   0.24    -0.10   0.22   0.19
    18   1     0.07  -0.18  -0.11     0.00   0.02   0.01     0.03  -0.10  -0.06
    19   1    -0.24   0.21   0.25     0.04  -0.03  -0.04    -0.18   0.15   0.18
    20   1     0.02   0.19  -0.11    -0.02  -0.06   0.04     0.00   0.11  -0.06
    21   1    -0.18  -0.26   0.25     0.05   0.07  -0.07    -0.14  -0.19   0.18
    22   1    -0.08  -0.08   0.06    -0.09  -0.13   0.09     0.08   0.08  -0.06
    23   1     0.03   0.20  -0.15     0.05   0.25  -0.20    -0.04  -0.23   0.18
    24   1     0.13   0.05   0.08     0.12   0.06   0.08    -0.09  -0.05  -0.06
    25   1    -0.22   0.02  -0.18    -0.23   0.02  -0.18     0.24  -0.02   0.18
    26   1     0.01   0.02   0.06     0.03   0.04   0.07     0.01  -0.01  -0.07
    27   1    -0.16  -0.15  -0.04    -0.17  -0.15  -0.05     0.16   0.16   0.03
    28   1    -0.05  -0.02   0.06    -0.03  -0.01   0.07     0.01  -0.01  -0.07
    29   1     0.16   0.10  -0.04     0.21   0.13  -0.05    -0.20  -0.11   0.03
    30   1    -0.02   0.06  -0.09     0.00   0.01   0.02    -0.01  -0.00  -0.07
    31   1     0.06  -0.29   0.06    -0.02   0.08  -0.01     0.06  -0.22   0.03
    32   1    -0.01  -0.05  -0.09     0.00   0.03   0.01    -0.01  -0.00  -0.07
    33   1    -0.01   0.30   0.06     0.01  -0.04  -0.01     0.01   0.22   0.03
    34   1    -0.03   0.01   0.03     0.05  -0.00  -0.08     0.01   0.01  -0.07
    35   1     0.07  -0.03  -0.02    -0.28   0.09   0.06    -0.23   0.06   0.03
    36   1    -0.00  -0.00   0.03    -0.05   0.04  -0.08     0.00   0.01  -0.07
    37   1    -0.10   0.06  -0.02     0.25  -0.13   0.06     0.20  -0.12   0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5914              1404.6565              1408.2922
 Red. masses --      1.2727                 1.2726                 1.2568
 Frc consts  --      1.4793                 1.4794                 1.4686
 IR Inten    --      0.0667                 0.0785                 3.1039
 RamAct Fr= 1--      2.4985                 2.5145                 0.0001
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7029
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8255
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3569                 0.3592                 0.0000
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      3.2075                 3.2205                 0.0000
 Delta2 Fr= 1--      1.6593                 1.6677                 0.0000
 Raman1 Fr= 1--       9.994                 10.058                  0.000
 ROA1   Fr= 1--     361.023                362.536                  0.004
 CID1   Fr= 1--      36.124                 36.045                 14.086
 Raman2 Fr= 1--       4.283                  4.311                  0.000
 ROA2   Fr= 1--      63.706                 63.950                  0.001
 CID2   Fr= 1--      14.874                 14.836                  6.933
 Raman3 Fr= 1--       8.566                  8.621                  0.000
 ROA3   Fr= 1--     361.023                362.536                  0.004
 CID3   Fr= 1--      42.145                 42.052                 17.063
 RC180  Fr= 1--       0.714                  0.714                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.08   0.02  -0.03    -0.05   0.01  -0.02
     2   6    -0.00   0.01  -0.00     0.00   0.08  -0.03    -0.00   0.06  -0.02
     3   7     0.00  -0.00  -0.00     0.02  -0.02  -0.01     0.01  -0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.01  -0.03  -0.01     0.01  -0.02  -0.01
     6   7     0.01   0.02  -0.01    -0.01  -0.01   0.01     0.01   0.02  -0.01
     7   6     0.02  -0.06  -0.02    -0.01   0.05   0.02     0.01  -0.05  -0.02
     8   6    -0.05  -0.03  -0.02     0.04   0.03   0.02    -0.05  -0.03  -0.02
     9   7     0.00   0.02  -0.01    -0.00  -0.02   0.00     0.00   0.02  -0.01
    10   7     0.02   0.01   0.01     0.01   0.00   0.00    -0.02  -0.01  -0.01
    11   6    -0.06   0.04   0.03    -0.02   0.02   0.01     0.05  -0.03  -0.02
    12   6    -0.05  -0.05   0.02    -0.02  -0.02   0.01     0.04   0.04  -0.02
    13   7     0.02  -0.00   0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    14   1     0.25   0.06   0.20    -0.20  -0.05  -0.16     0.23   0.05   0.19
    15   1     0.17   0.11   0.15    -0.14  -0.09  -0.11     0.14   0.09   0.12
    16   1    -0.13   0.22   0.21     0.11  -0.18  -0.16    -0.13   0.21   0.19
    17   1    -0.04   0.21   0.14     0.04  -0.16  -0.12    -0.03   0.16   0.12
    18   1     0.22  -0.22  -0.24     0.09  -0.09  -0.10    -0.16   0.18   0.19
    19   1     0.22  -0.11  -0.17     0.08  -0.05  -0.07    -0.15   0.07   0.12
    20   1     0.15   0.27  -0.24     0.06   0.10  -0.10    -0.11  -0.21   0.19
    21   1     0.18   0.16  -0.17     0.08   0.07  -0.07    -0.12  -0.11   0.12
    22   1    -0.01  -0.04   0.04    -0.09  -0.32   0.26    -0.07  -0.23   0.19
    23   1     0.00  -0.04   0.03     0.01  -0.26   0.18     0.01  -0.17   0.12
    24   1     0.05   0.00   0.04     0.33  -0.00   0.26     0.24   0.01   0.19
    25   1     0.03  -0.01   0.03     0.25  -0.08   0.18     0.16  -0.05   0.12
    26   1     0.01   0.01   0.01     0.10   0.09   0.05     0.06   0.06   0.05
    27   1    -0.01  -0.01  -0.01    -0.12  -0.07  -0.05    -0.11  -0.08  -0.03
    28   1    -0.02  -0.01   0.01    -0.12  -0.07   0.05    -0.07  -0.04   0.05
    29   1     0.01   0.02  -0.01     0.10   0.09  -0.05     0.11   0.08  -0.03
    30   1    -0.03   0.12  -0.05    -0.01   0.05  -0.02     0.02  -0.08   0.05
    31   1     0.00  -0.12   0.04    -0.00  -0.05   0.02    -0.02   0.13  -0.03
    32   1     0.01  -0.13  -0.05     0.00  -0.05  -0.02    -0.00   0.09   0.05
    33   1    -0.03   0.12   0.05    -0.01   0.05   0.02     0.02  -0.13  -0.03
    34   1    -0.10   0.03   0.04     0.08  -0.03  -0.03    -0.08   0.02   0.05
    35   1     0.09  -0.05  -0.04    -0.07   0.04   0.03     0.12  -0.05  -0.03
    36   1     0.10  -0.05   0.04    -0.08   0.04  -0.03     0.07  -0.04   0.05
    37   1    -0.10   0.03  -0.04     0.08  -0.02   0.03    -0.12   0.05  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.3422              1442.3721              1446.6146
 Red. masses --      1.4490                 1.4494                 1.4617
 Frc consts  --      1.7760                 1.7766                 1.8023
 IR Inten    --      3.2904                 3.2339                 0.0010
 RamAct Fr= 1--      0.3468                 0.3493                 0.5241
  Dep-P Fr= 1--      0.7500                 0.7499                 0.5037
  Dep-U Fr= 1--      0.8571                 0.8571                 0.6699
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0025
 Beta2  Fr= 1--      0.0495                 0.0499                 0.0585
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0466
 Gamma2 Fr= 1--     -1.3046                -1.3303                 0.1621
 Delta2 Fr= 1--     -0.9603                -0.9690                -0.0566
 Raman1 Fr= 1--       1.387                  1.397                  2.097
 ROA1   Fr= 1--    -155.966               -158.717                 13.748
 CID1   Fr= 1--    -112.437               -113.587                  6.557
 Raman2 Fr= 1--       0.594                  0.599                  0.702
 ROA2   Fr= 1--     -23.627                -24.175                  4.343
 CID2   Fr= 1--     -39.744                -40.372                  6.185
 Raman3 Fr= 1--       1.189                  1.198                  1.405
 ROA3   Fr= 1--    -155.966               -158.717                 13.748
 CID3   Fr= 1--    -131.178               -132.527                  9.788
 RC180  Fr= 1--       0.714                  0.714                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.07   0.05  -0.06    -0.05   0.04  -0.05
     2   6    -0.01   0.02  -0.02     0.03  -0.08   0.06     0.03  -0.06   0.05
     3   7     0.01  -0.01   0.00    -0.03   0.02  -0.00    -0.02   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.01  -0.00     0.01  -0.03   0.00     0.01  -0.02  -0.00
     6   7    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.01   0.02  -0.00
     7   6     0.01   0.06   0.04     0.01   0.07   0.05    -0.01  -0.06  -0.04
     8   6    -0.04  -0.05  -0.04    -0.04  -0.05  -0.05     0.04   0.05   0.04
     9   7     0.00   0.02   0.00     0.00   0.02   0.00    -0.00  -0.02   0.00
    10   7     0.03   0.01  -0.00    -0.01  -0.00   0.00     0.02   0.01   0.00
    11   6    -0.09   0.01   0.06     0.02  -0.00  -0.02    -0.06   0.01   0.04
    12   6     0.08   0.04  -0.06    -0.02  -0.01   0.02     0.06   0.02  -0.04
    13   7    -0.03   0.01   0.00     0.01  -0.00  -0.00    -0.02   0.00  -0.00
    14   1     0.20   0.11   0.22     0.23   0.10   0.23    -0.20  -0.12  -0.23
    15   1     0.13   0.08   0.06     0.13   0.06   0.08    -0.13  -0.09  -0.06
    16   1     0.09  -0.22  -0.21     0.07  -0.23  -0.23    -0.06   0.22   0.23
    17   1     0.05  -0.13  -0.08     0.04  -0.15  -0.07    -0.03   0.15   0.06
    18   1     0.27  -0.19  -0.31    -0.07   0.03   0.09     0.20  -0.11  -0.23
    19   1     0.17  -0.11  -0.10    -0.06   0.02   0.01     0.14  -0.07  -0.06
    20   1    -0.22  -0.25   0.31     0.05   0.08  -0.07    -0.16  -0.16   0.23
    21   1    -0.14  -0.15   0.10     0.02   0.04  -0.04    -0.12  -0.11   0.06
    22   1    -0.02  -0.10   0.08     0.02   0.32  -0.30    -0.00   0.24  -0.24
    23   1    -0.02  -0.05   0.04     0.01   0.20  -0.09    -0.01   0.16  -0.06
    24   1    -0.08   0.03  -0.09     0.32  -0.06   0.30     0.23  -0.06   0.24
    25   1    -0.06   0.02  -0.02     0.19  -0.04   0.10     0.15  -0.05   0.06
    26   1    -0.04  -0.03  -0.01     0.13   0.10   0.02     0.10   0.08   0.03
    27   1     0.03   0.01   0.01    -0.11  -0.01  -0.07    -0.07  -0.02  -0.04
    28   1    -0.04  -0.03   0.01     0.13   0.10  -0.02     0.10   0.07  -0.03
    29   1     0.01   0.03  -0.02    -0.04  -0.10   0.06    -0.03  -0.06   0.04
    30   1     0.02  -0.17   0.02    -0.01   0.04  -0.00     0.02  -0.12   0.03
    31   1     0.04   0.11  -0.06    -0.02  -0.03   0.02     0.02   0.07  -0.04
    32   1     0.02  -0.16  -0.02    -0.00   0.04   0.01     0.01  -0.12  -0.03
    33   1    -0.07   0.09   0.07     0.01  -0.03  -0.01    -0.03   0.06   0.04
    34   1     0.11  -0.05  -0.01     0.11  -0.05  -0.01    -0.12   0.04   0.03
    35   1    -0.05   0.07   0.05    -0.05   0.06   0.05     0.05  -0.05  -0.04
    36   1     0.11  -0.05   0.01     0.11  -0.05   0.01    -0.11   0.05  -0.03
    37   1    -0.08  -0.01  -0.04    -0.09  -0.02  -0.05     0.07   0.00   0.04
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1503.0039              1503.1437              1503.6059
 Red. masses --      1.0769                 1.0776                 1.0812
 Frc consts  --      1.4333                 1.4345                 1.4402
 IR Inten    --     44.6696                36.1817                 1.6456
 RamAct Fr= 1--     10.1078                13.2751                 1.1520
  Dep-P Fr= 1--      0.7472                 0.6514                 0.6556
  Dep-U Fr= 1--      0.8553                 0.7889                 0.7920
 Alpha2 Fr= 1--      0.0005                 0.0235                 0.0019
 Beta2  Fr= 1--      1.4409                 1.7454                 0.1521
 AlphaG Fr= 1--     -0.0008                -0.0431                -0.0035
 Gamma2 Fr= 1--     -1.2231                 0.3265                 0.4098
 Delta2 Fr= 1--     -1.3006                -0.9199                 0.0512
 Raman1 Fr= 1--      40.431                 53.100                  4.608
 ROA1   Fr= 1--    -159.040                  1.904                 40.978
 CID1   Fr= 1--      -3.934                  0.036                  8.893
 Raman2 Fr= 1--      17.291                 20.945                  1.825
 ROA2   Fr= 1--     -18.950                 15.194                  9.425
 CID2   Fr= 1--      -1.096                  0.725                  5.165
 Raman3 Fr= 1--      34.581                 41.890                  3.649
 ROA3   Fr= 1--    -159.040                  1.904                 40.978
 CID3   Fr= 1--      -4.599                  0.045                 11.229
 RC180  Fr= 1--       0.711                  0.578                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00     0.00  -0.02  -0.00     0.00  -0.01   0.00
     2   6    -0.05   0.01   0.01     0.04  -0.01  -0.00     0.03  -0.01  -0.00
     3   7    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03  -0.01   0.00    -0.04  -0.02   0.00     0.03   0.02  -0.00
     8   6    -0.00  -0.01  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    11   6    -0.02  -0.02  -0.00    -0.01  -0.02  -0.01    -0.03  -0.03  -0.00
    12   6    -0.03   0.02  -0.00     0.00  -0.01   0.00    -0.03   0.02  -0.00
    13   7    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.02   0.05   0.05    -0.17   0.16   0.13     0.15  -0.13  -0.10
    15   1     0.00   0.06  -0.04     0.00   0.23  -0.15    -0.00  -0.19   0.13
    16   1     0.29  -0.04   0.12     0.38  -0.03   0.18    -0.24   0.01  -0.12
    17   1     0.18   0.19  -0.18     0.25   0.26  -0.24    -0.15  -0.17   0.15
    18   1     0.06   0.25  -0.13     0.01   0.19  -0.06     0.07   0.34  -0.18
    19   1     0.22   0.12   0.17     0.14   0.08   0.12     0.29   0.16   0.23
    20   1     0.13  -0.26  -0.14    -0.02   0.09   0.01     0.14  -0.27  -0.16
    21   1     0.27  -0.07   0.19    -0.06   0.02  -0.05     0.29  -0.07   0.20
    22   1     0.36   0.14   0.17    -0.31  -0.11  -0.16    -0.23  -0.09  -0.12
    23   1     0.30  -0.18  -0.24    -0.26   0.16   0.21    -0.20   0.12   0.16
    24   1    -0.03  -0.09   0.08     0.10   0.17  -0.11     0.04   0.08  -0.06
    25   1     0.03  -0.10  -0.07    -0.05   0.18   0.13    -0.02   0.09   0.06
    26   1     0.01   0.01   0.02     0.01   0.00  -0.01    -0.01  -0.02  -0.02
    27   1     0.00  -0.01   0.00     0.00   0.01  -0.00    -0.01   0.01  -0.01
    28   1     0.02   0.01  -0.01    -0.00  -0.00  -0.00     0.02   0.01  -0.01
    29   1    -0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    30   1     0.00  -0.02  -0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
    31   1    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.01   0.00  -0.01
    32   1    -0.00   0.01  -0.01     0.00   0.03   0.02    -0.01  -0.02  -0.02
    33   1    -0.00   0.01   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    34   1     0.02  -0.01  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.02
    35   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    36   1     0.01  -0.01   0.02    -0.01  -0.00   0.02    -0.00   0.01  -0.01
    37   1    -0.00   0.01   0.00    -0.01   0.01   0.00    -0.00  -0.01  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.0513              1504.4687              1504.7975
 Red. masses --      1.0782                 1.0843                 1.0843
 Frc consts  --      1.4371                 1.4461                 1.4466
 IR Inten    --      5.4559                 4.2638                 1.0395
 RamAct Fr= 1--     16.3403                 0.7852                 2.3493
  Dep-P Fr= 1--      0.3107                 0.6649                 0.6970
  Dep-U Fr= 1--      0.4741                 0.7987                 0.8214
 Alpha2 Fr= 1--      0.1623                 0.0012                 0.0022
 Beta2  Fr= 1--      1.2913                 0.1045                 0.3216
 AlphaG Fr= 1--     -0.2970                -0.0021                -0.0041
 Gamma2 Fr= 1--     -2.0390                 2.2318                 3.3063
 Delta2 Fr= 1--     -0.5879                 1.0030                 1.1496
 Raman1 Fr= 1--      65.361                  3.141                  9.397
 ROA1   Fr= 1--    -214.551                246.347                354.195
 CID1   Fr= 1--      -3.283                 78.435                 37.691
 Raman2 Fr= 1--      15.496                  1.254                  3.860
 ROA2   Fr= 1--     -44.232                 45.539                 70.155
 CID2   Fr= 1--      -2.854                 36.307                 18.177
 Raman3 Fr= 1--      30.991                  2.509                  7.719
 ROA3   Fr= 1--    -214.551                246.347                354.195
 CID3   Fr= 1--      -6.923                 98.203                 45.884
 RC180  Fr= 1--      -0.052                  0.597                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01
     2   6    -0.01  -0.01   0.01    -0.02   0.00   0.00    -0.02  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     6   7     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.03   0.00  -0.01     0.03   0.01  -0.00    -0.02  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.01  -0.02   0.00    -0.02   0.04  -0.00
     9   7     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6     0.01   0.02   0.01    -0.03  -0.04  -0.01     0.00   0.00   0.00
    12   6    -0.02   0.02  -0.01     0.04  -0.03   0.01     0.01  -0.01   0.00
    13   7    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    14   1    -0.34   0.24   0.15    -0.14   0.09   0.05     0.28  -0.21  -0.14
    15   1     0.01   0.36  -0.25     0.01   0.14  -0.09    -0.02  -0.31   0.21
    16   1    -0.22   0.06  -0.05    -0.23   0.04  -0.09     0.13  -0.04   0.03
    17   1    -0.13  -0.13   0.13    -0.14  -0.16   0.14     0.07   0.09  -0.07
    18   1    -0.00  -0.16   0.04     0.03   0.40  -0.14    -0.01  -0.04   0.02
    19   1    -0.12  -0.06  -0.09     0.31   0.16   0.24    -0.03  -0.02  -0.03
    20   1     0.08  -0.24  -0.09    -0.13   0.38   0.13    -0.03   0.07   0.04
    21   1     0.21  -0.05   0.15    -0.34   0.07  -0.23    -0.07   0.02  -0.05
    22   1     0.10   0.07   0.01     0.18   0.07   0.08     0.18   0.11   0.05
    23   1     0.07  -0.04  -0.06     0.15  -0.09  -0.12     0.14  -0.10  -0.11
    24   1     0.22   0.26  -0.12     0.06   0.05  -0.02     0.31   0.38  -0.19
    25   1    -0.08   0.28   0.21    -0.02   0.06   0.04    -0.13   0.42   0.30
    26   1     0.02   0.03   0.02     0.01   0.01   0.02    -0.00  -0.00   0.02
    27   1     0.01  -0.02   0.01     0.01  -0.01   0.01     0.01  -0.01   0.00
    28   1     0.03   0.01  -0.03    -0.01  -0.01  -0.00     0.02   0.00  -0.04
    29   1    -0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.02   0.02  -0.01
    30   1     0.01  -0.02   0.02    -0.01   0.01  -0.03     0.00  -0.01   0.00
    31   1    -0.02  -0.00   0.00     0.02  -0.00  -0.01    -0.00   0.00   0.00
    32   1    -0.01  -0.03  -0.03     0.00   0.01   0.03     0.00   0.01   0.01
    33   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    34   1    -0.03   0.00   0.04     0.01  -0.00   0.01     0.01   0.00  -0.03
    35   1     0.01   0.02   0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.01
    36   1    -0.03   0.02  -0.03    -0.01   0.01  -0.02    -0.01   0.01   0.01
    37   1    -0.01  -0.02  -0.01    -0.00  -0.02  -0.01    -0.00   0.01  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1647.3931              1656.8081              1657.1609
 Red. masses --      1.0762                 1.0806                 1.0807
 Frc consts  --      1.7208                 1.7477                 1.7486
 IR Inten    --    228.3455                 5.4145                 5.2090
 RamAct Fr= 1--      0.0018                 4.6199                 4.7075
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0003                 0.6600                 0.6724
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0031                 2.3610                 2.6084
 Delta2 Fr= 1--      0.0008                 3.8659                 3.9651
 Raman1 Fr= 1--       0.007                 18.479                 18.830
 ROA1   Fr= 1--       0.325                350.367                377.292
 CID1   Fr= 1--      46.291                 18.960                 20.037
 Raman2 Fr= 1--       0.003                  7.919                  8.069
 ROA2   Fr= 1--       0.069                 25.737                 30.881
 CID2   Fr= 1--      22.795                  3.250                  3.827
 Raman3 Fr= 1--       0.006                 15.839                 16.138
 ROA3   Fr= 1--       0.325                350.367                377.292
 CID3   Fr= 1--      54.009                 22.121                 23.379
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7     0.00   0.01  -0.02     0.00  -0.00   0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01   0.00  -0.03    -0.02   0.00  -0.04     0.00  -0.00   0.01
     6   7     0.01  -0.01  -0.02    -0.00   0.01   0.02    -0.01   0.01   0.03
     7   6    -0.00   0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
     9   7    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.01   0.00   0.02
    10   7     0.01  -0.01  -0.03    -0.01   0.01   0.03    -0.01   0.01   0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
    13   7     0.01   0.01  -0.03    -0.00  -0.01   0.01     0.01   0.02  -0.04
    14   1     0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.00   0.01
    15   1     0.01  -0.01   0.01     0.02   0.01   0.00    -0.01   0.01  -0.01
    16   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.00  -0.00   0.00
    17   1    -0.02  -0.00   0.01     0.00  -0.02  -0.00     0.01  -0.00  -0.01
    18   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01  -0.02
    19   1     0.01   0.02   0.01     0.01  -0.02  -0.01     0.03  -0.01   0.00
    20   1     0.00  -0.00  -0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    21   1     0.01  -0.02   0.01    -0.02   0.00  -0.01    -0.02  -0.02   0.00
    22   1    -0.01   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.01
    23   1    -0.02  -0.00   0.01    -0.01   0.02   0.00    -0.01  -0.02   0.01
    24   1     0.00   0.01  -0.01     0.00  -0.01   0.01    -0.01   0.01  -0.02
    25   1     0.01   0.02   0.01     0.02   0.00   0.01    -0.01   0.01   0.00
    26   1    -0.03   0.08   0.27    -0.03   0.13   0.39     0.01  -0.01  -0.05
    27   1     0.22  -0.14   0.15     0.29  -0.20   0.20    -0.03   0.04  -0.03
    28   1    -0.07   0.05   0.26    -0.00  -0.01  -0.02    -0.11   0.06   0.37
    29   1     0.07  -0.24   0.14    -0.02   0.02  -0.01     0.11  -0.32   0.20
    30   1     0.08  -0.01   0.27    -0.04   0.02  -0.11     0.12  -0.04   0.38
    31   1    -0.22  -0.12   0.14     0.09   0.05  -0.06    -0.32  -0.15   0.20
    32   1     0.08   0.03   0.28    -0.10  -0.07  -0.35    -0.06  -0.03  -0.21
    33   1    -0.26   0.06   0.15     0.32  -0.07  -0.19     0.19  -0.03  -0.11
    34   1    -0.05  -0.07   0.26     0.05   0.05  -0.22     0.08   0.06  -0.27
    35   1     0.01   0.25   0.14    -0.02  -0.20  -0.11    -0.02  -0.25  -0.14
    36   1    -0.01  -0.09   0.27     0.00  -0.11   0.32    -0.01   0.07  -0.19
    37   1     0.17   0.19   0.14     0.19   0.23   0.17    -0.12  -0.13  -0.10
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1660.8726              1666.1424              1666.4758
 Red. masses --      1.0763                 1.0768                 1.0769
 Frc consts  --      1.7492                 1.7612                 1.7621
 IR Inten    --      0.0349                 5.1444                 4.9213
 RamAct Fr= 1--     15.7514                 2.0405                 2.1325
  Dep-P Fr= 1--      0.7452                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8540                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0013                 0.0000                 0.0000
 Beta2  Fr= 1--      2.2419                 0.2915                 0.3046
 AlphaG Fr= 1--      0.0057                 0.0000                 0.0000
 Gamma2 Fr= 1--    -22.4192                 5.9648                 6.1483
 Delta2 Fr= 1--    -10.0755                 1.3739                 1.4485
 Raman1 Fr= 1--      63.006                  8.162                  8.530
 ROA1   Fr= 1--   -2474.656                616.587                636.588
 CID1   Fr= 1--     -39.277                 75.544                 74.630
 Raman2 Fr= 1--      26.903                  3.498                  3.656
 ROA2   Fr= 1--    -457.456                132.164                135.971
 CID2   Fr= 1--     -17.004                 37.783                 37.194
 Raman3 Fr= 1--      53.807                  6.996                  7.311
 ROA3   Fr= 1--   -2474.656                616.587                636.588
 CID3   Fr= 1--     -45.992                 88.135                 87.068
 RC180  Fr= 1--       0.708                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7    -0.00  -0.01   0.03    -0.00   0.00  -0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.02    -0.02   0.00  -0.04    -0.00   0.00  -0.00
     6   7     0.01  -0.01  -0.03    -0.00   0.01   0.02     0.01  -0.01  -0.03
     7   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.01
     8   6    -0.00   0.01   0.01    -0.00   0.00   0.01     0.00   0.01   0.00
     9   7     0.01   0.01   0.03     0.02   0.01   0.03     0.01   0.00   0.02
    10   7    -0.01   0.01   0.02     0.01  -0.01  -0.03    -0.01   0.01   0.02
    11   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   6     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.01
    13   7     0.01   0.01  -0.02    -0.00  -0.01   0.02    -0.01  -0.01   0.03
    14   1     0.03  -0.02  -0.01     0.01  -0.00   0.00     0.01  -0.01  -0.01
    15   1    -0.02  -0.03   0.01    -0.02  -0.00  -0.00    -0.02  -0.02   0.01
    16   1     0.03  -0.01   0.01    -0.00   0.00   0.01     0.02  -0.01   0.01
    17   1     0.00   0.03  -0.01     0.01  -0.00  -0.01    -0.00   0.03  -0.00
    18   1    -0.00   0.03  -0.01     0.00  -0.02   0.01    -0.00   0.00   0.01
    19   1     0.03  -0.00   0.01    -0.03   0.01  -0.00    -0.00  -0.01  -0.01
    20   1    -0.00   0.03   0.01     0.01  -0.02  -0.01     0.00  -0.02   0.00
    21   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.01   0.02  -0.00
    22   1    -0.03  -0.02  -0.01    -0.01  -0.00  -0.01     0.02   0.01   0.00
    23   1    -0.01   0.03   0.01    -0.01   0.01   0.01     0.00  -0.03   0.00
    24   1    -0.02  -0.02   0.01    -0.02  -0.01   0.00     0.00   0.01  -0.01
    25   1     0.02  -0.02  -0.01     0.03  -0.01   0.00    -0.01   0.01   0.01
    26   1    -0.03   0.07   0.26    -0.03   0.13   0.39    -0.01   0.00   0.04
    27   1     0.19  -0.13   0.13     0.29  -0.20   0.20     0.03  -0.03   0.02
    28   1     0.07  -0.06  -0.29     0.00   0.01   0.04    -0.12   0.06   0.39
    29   1    -0.08   0.25  -0.15     0.02  -0.03   0.02     0.11  -0.33   0.20
    30   1     0.08  -0.01   0.26    -0.06   0.03  -0.16    -0.11   0.03  -0.35
    31   1    -0.21  -0.11   0.13     0.13   0.07  -0.08     0.29   0.14  -0.18
    32   1    -0.07  -0.02  -0.24     0.09   0.06   0.30    -0.06  -0.03  -0.21
    33   1     0.21  -0.05  -0.12    -0.27   0.06   0.16     0.19  -0.03  -0.11
    34   1    -0.06  -0.08   0.31     0.05   0.06  -0.24    -0.09  -0.07   0.32
    35   1     0.01   0.28   0.16    -0.02  -0.22  -0.13     0.02   0.28   0.16
    36   1     0.01   0.09  -0.29     0.00   0.11  -0.35    -0.01   0.06  -0.16
    37   1    -0.18  -0.19  -0.15    -0.20  -0.24  -0.18    -0.10  -0.11  -0.08
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.3389              3070.0140              3070.2424
 Red. masses --      1.0635                 1.0633                 1.0633
 Frc consts  --      5.9032                 5.9047                 5.9053
 IR Inten    --      4.7813                 5.1299                 6.8662
 RamAct Fr= 1--    287.3540               270.2034               142.3407
  Dep-P Fr= 1--      0.0302                 0.0327                 0.0670
  Dep-U Fr= 1--      0.0586                 0.0634                 0.1255
 Alpha2 Fr= 1--      5.9492                 5.5603                 2.6999
 Beta2  Fr= 1--      2.8056                 2.8557                 2.9781
 AlphaG Fr= 1--     -1.1445                -1.0557                -0.5139
 Gamma2 Fr= 1--    -12.6994                -9.5515                12.4033
 Delta2 Fr= 1--     -6.1756                -4.1691                 9.5332
 Raman1 Fr= 1--    1149.416               1080.814                569.363
 ROA1   Fr= 1--   -1416.759              -1050.356               1495.783
 CID1   Fr= 1--      -1.233                 -0.972                  2.627
 Raman2 Fr= 1--      33.667                 34.269                 35.737
 ROA2   Fr= 1--    -255.380               -195.884                221.415
 CID2   Fr= 1--      -7.585                 -5.716                  6.196
 Raman3 Fr= 1--      67.334                 68.537                 71.474
 ROA3   Fr= 1--   -1416.759              -1050.356               1495.783
 CID3   Fr= 1--     -21.041                -15.325                 20.928
 RC180  Fr= 1--      -0.883                 -0.873                 -0.749
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.05  -0.01
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.04   0.02   0.01
     3   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.04   0.03  -0.01    -0.01  -0.01   0.00
     8   6    -0.00   0.00  -0.00     0.01  -0.05   0.01    -0.00   0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01  -0.03   0.03     0.16   0.41  -0.39    -0.03  -0.07   0.07
    15   1     0.01  -0.01  -0.01    -0.25   0.13   0.23     0.04  -0.02  -0.04
    16   1     0.02   0.04  -0.03    -0.18  -0.40   0.39     0.04   0.08  -0.08
    17   1     0.02  -0.01   0.02    -0.27   0.08  -0.23     0.06  -0.02   0.05
    18   1     0.44   0.07   0.40     0.03   0.00   0.03     0.02   0.00   0.02
    19   1    -0.01   0.29  -0.23    -0.00   0.02  -0.02    -0.00   0.02  -0.01
    20   1    -0.44  -0.05  -0.40    -0.04  -0.00  -0.04    -0.01  -0.00  -0.01
    21   1    -0.06   0.27   0.23    -0.01   0.03   0.02    -0.00   0.00   0.00
    22   1    -0.02   0.02   0.03     0.05  -0.06  -0.07     0.27  -0.34  -0.39
    23   1    -0.02  -0.01  -0.02     0.04   0.02   0.04     0.24   0.15   0.23
    24   1     0.01  -0.02  -0.02    -0.05   0.07   0.08    -0.26   0.36   0.39
    25   1    -0.01  -0.01   0.01     0.04   0.04  -0.05     0.21   0.20  -0.24
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    27   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    29   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.01
    30   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    36   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.8616              3075.3033              3075.6091
 Red. masses --      1.0604                 1.0604                 1.0605
 Frc consts  --      5.9070                 5.9085                 5.9105
 IR Inten    --      3.7695                 1.5980                21.1921
 RamAct Fr= 1--     60.7178                67.7451                12.0661
  Dep-P Fr= 1--      0.7494                 0.7496                 0.7490
  Dep-U Fr= 1--      0.8568                 0.8569                 0.8565
 Alpha2 Fr= 1--      0.0006                 0.0004                 0.0002
 Beta2  Fr= 1--      8.6702                 9.6752                 1.7224
 AlphaG Fr= 1--     -0.0001                -0.0001                -0.0000
 Gamma2 Fr= 1--     13.3704                14.8324                 2.6105
 Delta2 Fr= 1--      8.9100                 9.8110                 1.7281
 Raman1 Fr= 1--     242.871                270.981                 48.264
 ROA1   Fr= 1--    1568.680               1737.858                305.907
 CID1   Fr= 1--       6.459                  6.413                  6.338
 Raman2 Fr= 1--     104.042                116.102                 20.669
 ROA2   Fr= 1--     249.610                277.489                 48.828
 CID2   Fr= 1--       2.399                  2.390                  2.362
 Raman3 Fr= 1--     208.084                232.205                 41.338
 ROA3   Fr= 1--    1568.680               1737.858                305.907
 CID3   Fr= 1--       7.539                  7.484                  7.400
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00  -0.03  -0.00     0.01   0.04   0.00
     2   6    -0.01   0.00   0.00     0.03  -0.00  -0.00    -0.04   0.01   0.00
     3   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6    -0.01  -0.00   0.00    -0.04  -0.02   0.00    -0.02  -0.01   0.00
     8   6     0.00  -0.01   0.00     0.01  -0.04   0.00     0.01  -0.02   0.00
     9   7     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.04   0.03  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.03   0.08  -0.07     0.11   0.28  -0.27     0.07   0.18  -0.18
    15   1    -0.07   0.04   0.07    -0.28   0.15   0.25    -0.19   0.10   0.17
    16   1     0.03   0.06  -0.06     0.12   0.28  -0.28     0.08   0.18  -0.17
    17   1     0.07  -0.02   0.06     0.31  -0.10   0.26     0.20  -0.06   0.16
    18   1     0.35   0.05   0.32    -0.04  -0.01  -0.03    -0.08  -0.01  -0.08
    19   1    -0.01   0.37  -0.30     0.00  -0.04   0.03     0.00  -0.09   0.07
    20   1     0.36   0.04   0.33    -0.02  -0.00  -0.02    -0.09  -0.01  -0.08
    21   1     0.08  -0.37  -0.30    -0.01   0.03   0.02    -0.02   0.09   0.07
    22   1     0.03  -0.04  -0.04    -0.13   0.17   0.19     0.19  -0.24  -0.27
    23   1     0.05   0.03   0.04    -0.19  -0.12  -0.18     0.27   0.17   0.26
    24   1     0.04  -0.05  -0.06    -0.12   0.16   0.18     0.18  -0.24  -0.27
    25   1    -0.05  -0.04   0.05     0.16   0.15  -0.17    -0.24  -0.22   0.25
    26   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    28   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.2043              3115.4595              3115.5691
 Red. masses --      1.1072                 1.1074                 1.1074
 Frc consts  --      6.3308                 6.3326                 6.3333
 IR Inten    --      9.7779                10.7282                 3.7552
 RamAct Fr= 1--    162.8769               158.1376               179.4703
  Dep-P Fr= 1--      0.4979                 0.5978                 0.1670
  Dep-U Fr= 1--      0.6648                 0.7483                 0.2862
 Alpha2 Fr= 1--      0.8121                 0.4462                 2.6567
 Beta2  Fr= 1--     18.0474                19.7226                 8.5598
 AlphaG Fr= 1--      0.0860                 0.0503                 0.3005
 Gamma2 Fr= 1--    -38.3321               -46.9338                10.5984
 Delta2 Fr= 1--    -28.7958               -36.3778                14.0366
 Raman1 Fr= 1--     651.507                632.550                717.881
 ROA1   Fr= 1--   -4601.352              -5669.736               1466.619
 CID1   Fr= 1--      -7.063                 -8.963                  2.043
 Raman2 Fr= 1--     216.568                236.671                102.718
 ROA2   Fr= 1--    -689.605               -835.389                142.070
 CID2   Fr= 1--      -3.184                 -3.530                  1.383
 Raman3 Fr= 1--     433.137                473.341                205.435
 ROA3   Fr= 1--   -4601.352              -5669.736               1466.619
 CID3   Fr= 1--     -10.623                -11.978                  7.139
 RC180  Fr= 1--       0.330                  0.497                 -0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.02  -0.00   0.02    -0.04  -0.01   0.05
     2   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02    -0.02  -0.03  -0.05
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01    -0.03   0.03  -0.05     0.01  -0.01   0.02
     8   6     0.01   0.00  -0.01    -0.04  -0.00   0.05     0.02   0.00  -0.02
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.01
    12   6    -0.01  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01  -0.03   0.03     0.09   0.23  -0.22    -0.04  -0.10   0.09
    15   1    -0.05   0.03   0.05     0.37  -0.22  -0.34    -0.16   0.09   0.15
    16   1     0.01   0.03  -0.03    -0.11  -0.23   0.22     0.05   0.10  -0.09
    17   1    -0.05   0.01  -0.04     0.42  -0.11   0.34    -0.18   0.05  -0.14
    18   1    -0.27  -0.05  -0.23    -0.02  -0.00  -0.02     0.03   0.01   0.03
    19   1     0.00   0.47  -0.37     0.00   0.04  -0.03    -0.00  -0.06   0.05
    20   1     0.27   0.02   0.23     0.02   0.00   0.02    -0.04  -0.00  -0.03
    21   1    -0.12   0.46   0.36    -0.01   0.03   0.03     0.02  -0.06  -0.05
    22   1    -0.02   0.02   0.02    -0.07   0.09   0.10    -0.16   0.19   0.22
    23   1     0.04   0.02   0.03     0.17   0.10   0.15     0.37   0.21   0.33
    24   1     0.02  -0.02  -0.02     0.06  -0.09  -0.10     0.14  -0.21  -0.22
    25   1     0.03   0.03  -0.04     0.14   0.13  -0.15     0.31   0.31  -0.34
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    28   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.01
    36   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00   0.00  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5132              3125.9479              3126.0975
 Red. masses --      1.1101                 1.1101                 1.1101
 Frc consts  --      6.3894                 6.3909                 6.3915
 IR Inten    --      4.2602                 4.2249                 4.3967
 RamAct Fr= 1--     55.6093                54.7335                61.1535
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      7.9441                 7.8191                 8.7361
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     34.1419                33.9050                37.8696
 Delta2 Fr= 1--      5.3323                 5.2603                 5.8602
 Raman1 Fr= 1--     222.437                218.934                244.614
 ROA1   Fr= 1--    3448.258               3423.214               3823.011
 CID1   Fr= 1--      15.502                 15.636                 15.629
 Raman2 Fr= 1--      95.330                 93.829                104.833
 ROA2   Fr= 1--     776.748                771.639                861.990
 CID2   Fr= 1--       8.148                  8.224                  8.223
 Raman3 Fr= 1--     190.659                187.658                209.666
 ROA3   Fr= 1--    3448.258               3423.214               3823.011
 CID3   Fr= 1--      18.086                 18.242                 18.234
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.00  -0.05
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.04  -0.05
     3   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.02   0.04  -0.05     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.04   0.01  -0.05    -0.00  -0.00   0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.03  -0.03   0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.02   0.03   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.01    -0.13  -0.36   0.33     0.01   0.02  -0.02
    15   1     0.01  -0.00  -0.01    -0.34   0.20   0.30     0.02  -0.01  -0.02
    16   1     0.00   0.01  -0.01    -0.16  -0.34   0.32     0.01   0.02  -0.02
    17   1    -0.01   0.00  -0.01     0.38  -0.10   0.30    -0.03   0.01  -0.02
    18   1    -0.37  -0.06  -0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    19   1     0.00   0.39  -0.30     0.00   0.01  -0.01    -0.00   0.01  -0.01
    20   1    -0.38  -0.03  -0.33    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    21   1     0.10  -0.38  -0.31     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    22   1     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.24   0.29   0.33
    23   1    -0.01  -0.00  -0.01     0.02   0.01   0.02     0.34   0.19   0.30
    24   1     0.00  -0.00  -0.00    -0.02   0.02   0.02    -0.22   0.31   0.33
    25   1     0.00   0.00  -0.00    -0.02  -0.02   0.02    -0.27  -0.27   0.30
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    33   1     0.01  -0.01   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   1    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.8540              3431.3797              3431.6221
 Red. masses --      1.0529                 1.0529                 1.0529
 Frc consts  --      7.3022                 7.3044                 7.3054
 IR Inten    --    171.8403                42.0467                29.9404
 RamAct Fr= 1--      2.6506                21.0262                 2.0680
  Dep-P Fr= 1--      0.2641                 0.0910                 0.7310
  Dep-U Fr= 1--      0.4178                 0.1669                 0.8446
 Alpha2 Fr= 1--      0.0302                 0.3763                 0.0007
 Beta2  Fr= 1--      0.1846                 0.5848                 0.2911
 AlphaG Fr= 1--     -0.0042                -0.0694                -0.0004
 Gamma2 Fr= 1--      0.4137                 8.3296                10.6549
 Delta2 Fr= 1--     -0.1534                -0.0619                -1.4012
 Raman1 Fr= 1--      10.602                 84.105                  8.272
 ROA1   Fr= 1--      34.804                797.656                978.033
 CID1   Fr= 1--       3.283                  9.484                118.234
 Raman2 Fr= 1--       2.215                  7.018                  3.493
 ROA2   Fr= 1--      11.156                200.405                266.927
 CID2   Fr= 1--       5.036                 28.557                 76.414
 Raman3 Fr= 1--       4.430                 14.035                  6.986
 ROA3   Fr= 1--      34.804                797.656                978.033
 CID3   Fr= 1--       7.856                 56.832                139.993
 RC180  Fr= 1--      -0.164                 -0.666                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.01
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00  -0.00   0.01
     6   7    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04     0.00   0.01   0.03
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.03
    10   7     0.01   0.00  -0.04    -0.01  -0.00   0.03    -0.00  -0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.02     0.00   0.00  -0.01     0.01   0.00  -0.04
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    19   1     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00   0.01
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.16  -0.16   0.05    -0.10   0.10  -0.03    -0.04   0.04  -0.01
    27   1    -0.11   0.10   0.24     0.07  -0.07  -0.16     0.03  -0.03  -0.06
    28   1     0.07  -0.13   0.03     0.11  -0.20   0.05    -0.07   0.12  -0.03
    29   1    -0.05   0.09   0.16    -0.07   0.14   0.25     0.04  -0.08  -0.15
    30   1    -0.19  -0.05   0.04    -0.09  -0.02   0.02    -0.38  -0.10   0.09
    31   1     0.14   0.04   0.22     0.07   0.02   0.11     0.26   0.08   0.43
    32   1    -0.40   0.00   0.09     0.34  -0.00  -0.07     0.10  -0.00  -0.02
    33   1     0.29  -0.01   0.45    -0.24   0.01  -0.37    -0.07   0.00  -0.12
    34   1     0.06   0.22   0.05     0.10   0.36   0.08    -0.07  -0.25  -0.06
    35   1    -0.04  -0.16   0.26    -0.06  -0.26   0.42     0.04   0.18  -0.29
    36   1     0.09   0.15   0.04     0.08   0.14   0.04     0.16   0.28   0.07
    37   1    -0.07  -0.11   0.20    -0.06  -0.09   0.17    -0.12  -0.19   0.36
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3432.5865              3432.6909              3433.1997
 Red. masses --      1.0530                 1.0530                 1.0532
 Frc consts  --      7.3099                 7.3107                 7.3137
 IR Inten    --     12.8414                 0.8203                 1.2218
 RamAct Fr= 1--     21.1443                24.8030               458.9166
  Dep-P Fr= 1--      0.6817                 0.5162                 0.0179
  Dep-U Fr= 1--      0.8107                 0.6809                 0.0352
 Alpha2 Fr= 1--      0.0254                 0.1133                 9.7790
 Beta2  Fr= 1--      2.8570                 2.8149                 2.6945
 AlphaG Fr= 1--     -0.0050                -0.0211                -1.6380
 Gamma2 Fr= 1--     -4.1851                -3.4455                -1.7461
 Delta2 Fr= 1--     -0.1712                -1.7404                -2.6853
 Raman1 Fr= 1--      84.577                 99.212               1835.666
 ROA1   Fr= 1--    -407.248               -386.455               -253.551
 CID1   Fr= 1--      -4.815                 -3.895                 -0.138
 Raman2 Fr= 1--      34.284                 33.779                 32.334
 ROA2   Fr= 1--     -99.073                -68.768                -20.423
 CID2   Fr= 1--      -2.890                 -2.036                 -0.632
 Raman3 Fr= 1--      68.568                 67.558                 64.668
 ROA3   Fr= 1--    -407.248               -386.455               -253.551
 CID3   Fr= 1--      -5.939                 -5.720                 -3.921
 RC180  Fr= 1--       0.621                  0.362                 -0.930
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00   0.00  -0.03     0.00  -0.01   0.03    -0.00   0.01  -0.03
     4  45     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.01  -0.04    -0.00   0.00  -0.01     0.00  -0.00   0.03
     6   7     0.00   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.02
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00  -0.01  -0.04    -0.00  -0.00  -0.02
    10   7    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00   0.01    -0.01  -0.00   0.03    -0.00  -0.00   0.02
    14   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   1     0.31  -0.31   0.10     0.08  -0.08   0.03    -0.20   0.20  -0.06
    27   1    -0.23   0.21   0.49    -0.06   0.06   0.13     0.15  -0.14  -0.31
    28   1     0.13  -0.24   0.06    -0.14   0.25  -0.06     0.16  -0.29   0.07
    29   1    -0.09   0.17   0.30     0.09  -0.18  -0.31    -0.11   0.21   0.37
    30   1     0.07   0.02  -0.02     0.31   0.09  -0.07     0.21   0.06  -0.05
    31   1    -0.05  -0.02  -0.08    -0.22  -0.07  -0.36    -0.15  -0.05  -0.24
    32   1     0.21  -0.00  -0.05     0.03  -0.00  -0.01    -0.15   0.00   0.03
    33   1    -0.15   0.01  -0.24    -0.02   0.00  -0.03     0.11  -0.01   0.18
    34   1    -0.05  -0.18  -0.04     0.03   0.11   0.03    -0.05  -0.20  -0.05
    35   1     0.03   0.13  -0.21    -0.02  -0.08   0.13     0.03   0.15  -0.24
    36   1     0.03   0.04   0.01     0.19   0.32   0.08     0.12   0.20   0.05
    37   1    -0.02  -0.03   0.06    -0.15  -0.23   0.42    -0.09  -0.14   0.26
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3481.5083              3482.0571              3482.1925
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8013                 7.8032                 7.8031
 IR Inten    --     31.4116                33.8102                24.6513
 RamAct Fr= 1--     32.8399                23.5468                28.3676
  Dep-P Fr= 1--      0.6111                 0.5780                 0.7485
  Dep-U Fr= 1--      0.7586                 0.7326                 0.8562
 Alpha2 Fr= 1--      0.0839                 0.0760                 0.0007
 Beta2  Fr= 1--      4.1521                 2.8750                 4.0479
 AlphaG Fr= 1--      0.2986                 0.2775                 0.0037
 Gamma2 Fr= 1--      7.7079                17.1714               -44.1902
 Delta2 Fr= 1--     -0.1797                 1.6011               -17.3172
 Raman1 Fr= 1--     131.360                 94.187                113.470
 ROA1   Fr= 1--     734.205               1699.691              -4796.404
 CID1   Fr= 1--       5.589                 18.046                -42.270
 Raman2 Fr= 1--      49.826                 34.501                 48.575
 ROA2   Fr= 1--     186.427                399.305               -922.026
 CID2   Fr= 1--       3.742                 11.574                -18.982
 Raman3 Fr= 1--      99.652                 69.001                 97.150
 ROA3   Fr= 1--     734.205               1699.691              -4796.404
 CID3   Fr= 1--       7.368                 24.633                -49.371
 RC180  Fr= 1--       0.517                  0.465                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.00  -0.02   0.01     0.01   0.03  -0.01    -0.02  -0.06   0.02
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00  -0.01   0.00
    10   7    -0.07   0.00  -0.02    -0.01   0.00  -0.00     0.01  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.06  -0.02  -0.02    -0.02  -0.01  -0.01
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.01  -0.01
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.00   0.01     0.00   0.00   0.00
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.03   0.03  -0.01    -0.02   0.02  -0.01     0.02  -0.03   0.01
    27   1    -0.01   0.01   0.03    -0.01   0.01   0.02     0.01  -0.01  -0.02
    28   1    -0.01   0.02  -0.01     0.10  -0.17   0.05     0.18  -0.31   0.10
    29   1    -0.00   0.01   0.02     0.03  -0.07  -0.13     0.06  -0.13  -0.25
    30   1     0.00   0.00  -0.00     0.62   0.16  -0.17     0.21   0.06  -0.06
    31   1     0.00   0.00   0.00     0.24   0.08   0.44     0.09   0.03   0.16
    32   1     0.74   0.00  -0.20     0.06  -0.00  -0.02    -0.13   0.00   0.04
    33   1     0.29  -0.02   0.51     0.03  -0.00   0.04    -0.05   0.00  -0.09
    34   1     0.05   0.17   0.05    -0.08  -0.30  -0.08     0.16   0.60   0.17
    35   1     0.01   0.07  -0.12    -0.02  -0.12   0.21     0.05   0.24  -0.42
    36   1    -0.03  -0.05  -0.01    -0.09  -0.16  -0.05     0.03   0.06   0.02
    37   1    -0.01  -0.02   0.03    -0.04  -0.06   0.13     0.01   0.02  -0.04
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.2279              3482.5349              3482.6118
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8045                 7.8050                 7.8051
 IR Inten    --     28.2080                53.5974                30.2478
 RamAct Fr= 1--     42.2862                 9.5429                33.5642
  Dep-P Fr= 1--      0.5752                 0.7104                 0.7339
  Dep-U Fr= 1--      0.7303                 0.8307                 0.8465
 Alpha2 Fr= 1--      0.1390                 0.0066                 0.0092
 Beta2  Fr= 1--      5.1472                 1.3212                 4.7354
 AlphaG Fr= 1--      0.5050                 0.0230                 0.0352
 Gamma2 Fr= 1--     35.0840                -5.2820               -36.4499
 Delta2 Fr= 1--      7.2819                 6.8848                 2.7435
 Raman1 Fr= 1--     169.145                 38.172                134.257
 ROA1   Fr= 1--    3601.084               -286.757              -3411.396
 CID1   Fr= 1--      21.290                 -7.512                -25.410
 Raman2 Fr= 1--      61.766                 15.854                 56.825
 ROA2   Fr= 1--     783.761               -181.846               -896.745
 CID2   Fr= 1--      12.689                -11.470                -15.781
 Raman3 Fr= 1--     123.533                 31.708                113.650
 ROA3   Fr= 1--    3601.084               -286.757              -3411.396
 CID3   Fr= 1--      29.151                 -9.044                -30.017
 RC180  Fr= 1--       0.461                  0.661                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.03  -0.05  -0.02    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.03  -0.03  -0.01     0.03  -0.03  -0.01     0.04  -0.03  -0.01
     6   7     0.00   0.01  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.03  -0.05   0.02     0.01   0.02  -0.01     0.02   0.03  -0.01
    10   7    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.00    -0.02  -0.01  -0.01     0.03   0.01   0.01
    14   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.00  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.01   0.01   0.01    -0.00   0.01   0.01    -0.00   0.01   0.01
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.31   0.31  -0.12    -0.28   0.28  -0.11    -0.34   0.34  -0.13
    27   1    -0.13   0.12   0.30    -0.12   0.11   0.27    -0.14   0.13   0.33
    28   1     0.03  -0.05   0.02    -0.26   0.44  -0.14     0.19  -0.33   0.10
    29   1     0.01  -0.02  -0.04    -0.09   0.19   0.36     0.07  -0.14  -0.27
    30   1     0.09   0.02  -0.02     0.20   0.05  -0.05    -0.26  -0.07   0.07
    31   1     0.03   0.01   0.06     0.08   0.03   0.14    -0.10  -0.03  -0.19
    32   1     0.04   0.00  -0.01    -0.12   0.00   0.03    -0.02   0.00   0.01
    33   1     0.02  -0.00   0.03    -0.05   0.00  -0.08    -0.01   0.00  -0.02
    34   1    -0.03  -0.10  -0.03     0.06   0.24   0.07    -0.02  -0.06  -0.02
    35   1    -0.01  -0.04   0.06     0.02   0.09  -0.17    -0.01  -0.03   0.04
    36   1     0.30   0.53   0.17    -0.11  -0.19  -0.06    -0.18  -0.31  -0.10
    37   1     0.13   0.20  -0.42    -0.05  -0.07   0.15    -0.08  -0.12   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2545.129212547.041233955.93264
           X            1.00000  -0.00201  -0.00001
           Y            0.00201   1.00000  -0.00001
           Z            0.00001   0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03403     0.03401     0.02189
 Rotational constants (GHZ):           0.70910     0.70856     0.45621
 Zero-point vibrational energy     926060.3 (Joules/Mol)
                                  221.33371 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    120.10   123.15   167.12   205.89   206.96
          (Kelvin)            234.94   308.55   309.38   317.78   353.19
                              433.18   434.00   440.24   471.24   472.31
                              578.94   585.44   585.86   666.53   667.03
                              720.66   771.60   771.81   816.43   991.54
                              992.71  1005.01  1030.38  1109.35  1110.70
                             1246.58  1246.65  1250.02  1250.24  1250.40
                             1263.31  1410.93  1415.00  1415.14  1440.90
                             1440.94  1448.56  1510.23  1510.33  1510.61
                             1603.28  1603.61  1616.34  1685.36  1686.03
                             1708.83  1759.55  1760.50  1794.23  1858.18
                             1858.79  1870.24  1914.11  1914.32  1933.53
                             1938.74  1938.98  1945.40  2020.89  2020.99
                             2026.22  2075.21  2075.25  2081.36  2162.49
                             2162.69  2163.35  2163.99  2164.59  2165.07
                             2370.23  2383.78  2384.28  2389.63  2397.21
                             2397.69  4416.09  4417.07  4417.39  4424.04
                             4424.68  4425.12  4482.08  4482.45  4482.61
                             4496.92  4497.54  4497.76  4936.23  4936.99
                             4937.34  4938.73  4938.88  4939.61  5009.11
                             5009.90  5010.10  5010.15  5010.59  5010.70
 
 Zero-point correction=                           0.352718 (Hartree/Particle)
 Thermal correction to Energy=                    0.367705
 Thermal correction to Enthalpy=                  0.368649
 Thermal correction to Gibbs Free Energy=         0.312298
 Sum of electronic and zero-point Energies=           -681.283374
 Sum of electronic and thermal Energies=              -681.268387
 Sum of electronic and thermal Enthalpies=            -681.267443
 Sum of electronic and thermal Free Energies=         -681.323794
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.738             60.508            118.601
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.617
 Vibrational            228.961             54.546             44.164
 Vibration     1          0.600              1.961              3.807
 Vibration     2          0.601              1.959              3.758
 Vibration     3          0.608              1.936              3.163
 Vibration     4          0.616              1.910              2.762
 Vibration     5          0.616              1.909              2.752
 Vibration     6          0.623              1.887              2.511
 Vibration     7          0.644              1.819              2.005
 Vibration     8          0.645              1.818              2.001
 Vibration     9          0.648              1.809              1.952
 Vibration    10          0.660              1.770              1.763
 Vibration    11          0.693              1.672              1.411
 Vibration    12          0.694              1.671              1.408
 Vibration    13          0.696              1.662              1.384
 Vibration    14          0.711              1.620              1.272
 Vibration    15          0.711              1.619              1.269
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.772              1.455              0.938
 Vibration    18          0.772              1.455              0.937
 Vibration    19          0.821              1.332              0.757
 Vibration    20          0.821              1.331              0.756
 Vibration    21          0.856              1.248              0.656
 Vibration    22          0.891              1.170              0.573
 Vibration    23          0.891              1.169              0.573
 Vibration    24          0.923              1.102              0.509
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.225495-143       -143.646863       -330.759126
 Total V=0       0.390735D+19         18.591883         42.809392
 Vib (Bot)       0.664362-158       -158.177595       -364.217373
 Vib (Bot)    1  0.246572D+01          0.391944          0.902483
 Vib (Bot)    2  0.240400D+01          0.380934          0.877133
 Vib (Bot)    3  0.176086D+01          0.245725          0.565803
 Vib (Bot)    4  0.141970D+01          0.152197          0.350446
 Vib (Bot)    5  0.141211D+01          0.149868          0.345085
 Vib (Bot)    6  0.123677D+01          0.092291          0.212507
 Vib (Bot)    7  0.924492D+00         -0.034097         -0.078511
 Vib (Bot)    8  0.921771D+00         -0.035377         -0.081459
 Vib (Bot)    9  0.895244D+00         -0.048058         -0.110659
 Vib (Bot)   10  0.796748D+00         -0.098679         -0.227217
 Vib (Bot)   11  0.631273D+00         -0.199783         -0.460017
 Vib (Bot)   12  0.629872D+00         -0.200747         -0.462238
 Vib (Bot)   13  0.619423D+00         -0.208013         -0.478968
 Vib (Bot)   14  0.571343D+00         -0.243103         -0.559765
 Vib (Bot)   15  0.569790D+00         -0.244285         -0.562488
 Vib (Bot)   16  0.442176D+00         -0.354404         -0.816046
 Vib (Bot)   17  0.435812D+00         -0.360700         -0.830543
 Vib (Bot)   18  0.435406D+00         -0.361105         -0.831475
 Vib (Bot)   19  0.366159D+00         -0.436330         -1.004688
 Vib (Bot)   20  0.365781D+00         -0.436778         -1.005719
 Vib (Bot)   21  0.327867D+00         -0.484302         -1.115147
 Vib (Bot)   22  0.296462D+00         -0.528032         -1.215838
 Vib (Bot)   23  0.296342D+00         -0.528206         -1.216240
 Vib (Bot)   24  0.271905D+00         -0.565582         -1.302301
 Vib (V=0)       0.115120D+05          4.061151          9.351145
 Vib (V=0)    1  0.301590D+01          0.479417          1.103899
 Vib (V=0)    2  0.295544D+01          0.470623          1.083649
 Vib (V=0)    3  0.233047D+01          0.367444          0.846071
 Vib (V=0)    4  0.200517D+01          0.302152          0.695731
 Vib (V=0)    5  0.199802D+01          0.300599          0.692155
 Vib (V=0)    6  0.183402D+01          0.263404          0.606511
 Vib (V=0)    7  0.155104D+01          0.190623          0.438926
 Vib (V=0)    8  0.154865D+01          0.189952          0.437382
 Vib (V=0)    9  0.152541D+01          0.183386          0.422262
 Vib (V=0)   10  0.144064D+01          0.158556          0.365089
 Vib (V=0)   11  0.130530D+01          0.115710          0.266432
 Vib (V=0)   12  0.130420D+01          0.115345          0.265591
 Vib (V=0)   13  0.129604D+01          0.112619          0.259316
 Vib (V=0)   14  0.125923D+01          0.100106          0.230502
 Vib (V=0)   15  0.125806D+01          0.099703          0.229574
 Vib (V=0)   16  0.116747D+01          0.067247          0.154841
 Vib (V=0)   17  0.116327D+01          0.065682          0.151239
 Vib (V=0)   18  0.116301D+01          0.065582          0.151009
 Vib (V=0)   19  0.111974D+01          0.049116          0.113093
 Vib (V=0)   20  0.111951D+01          0.049029          0.112894
 Vib (V=0)   21  0.109791D+01          0.040567          0.093409
 Vib (V=0)   22  0.108128D+01          0.033939          0.078148
 Vib (V=0)   23  0.108122D+01          0.033915          0.078092
 Vib (V=0)   24  0.106915D+01          0.029039          0.066865
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181277D+07          6.258343         14.410367
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000014083    0.000001070   -0.000028809
      2        6           0.000003271   -0.000003666    0.000013123
      3        7           0.000040289    0.000003240   -0.000023439
      4       45          -0.000092645   -0.000040631   -0.000005690
      5        7           0.000020917   -0.000036648    0.000073159
      6        7          -0.000011403    0.000011425   -0.000002752
      7        6          -0.000002563   -0.000008075   -0.000006494
      8        6           0.000015348   -0.000004396    0.000016935
      9        7           0.000005582    0.000007291   -0.000078653
     10        7          -0.000017538    0.000033977   -0.000077852
     11        6          -0.000021644    0.000017925    0.000028544
     12        6          -0.000017572    0.000000981    0.000016120
     13        7           0.000074341   -0.000009136    0.000009715
     14        1          -0.000009784   -0.000002835    0.000048362
     15        1          -0.000000105   -0.000000451    0.000001678
     16        1          -0.000007679    0.000000407   -0.000000591
     17        1          -0.000000667   -0.000001352    0.000001765
     18        1           0.000003844   -0.000004862    0.000008021
     19        1           0.000000915   -0.000000949   -0.000002012
     20        1           0.000001755    0.000009231   -0.000018427
     21        1           0.000001133    0.000000281   -0.000002184
     22        1           0.000006796    0.000026127    0.000020735
     23        1          -0.000000621   -0.000001091   -0.000000406
     24        1           0.000029213   -0.000011968   -0.000051467
     25        1          -0.000000084    0.000001632    0.000000053
     26        1           0.000017803    0.000016957   -0.000024197
     27        1          -0.000013330   -0.000018114    0.000004468
     28        1           0.000024182   -0.000000748    0.000025622
     29        1           0.000002504   -0.000018473    0.000015697
     30        1          -0.000002180   -0.000009151   -0.000010645
     31        1          -0.000000436    0.000017709   -0.000020059
     32        1           0.000010304   -0.000010542    0.000020328
     33        1          -0.000001202    0.000024548    0.000002895
     34        1          -0.000005544   -0.000035706    0.000002755
     35        1           0.000006964    0.000034475   -0.000015904
     36        1          -0.000033009    0.000003133    0.000035024
     37        1          -0.000013073    0.000008383    0.000024584
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092645 RMS     0.000023815
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158668D+03 -0.344078D-02 -0.515698D-04
      2  -0.344078D-02  0.158614D+03  0.377242D-02
      3  -0.515698D-04  0.377242D-02  0.122300D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.367711D+01 -0.275461D-01 -0.147874D-01
      2   0.644137D-03  0.364581D+01 -0.433433D-02
      3   0.449568D-01  0.469878D-02 -0.628937D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.344712D+02 -0.851229D+02 -0.775080D-02
      2  -0.345030D+02  0.851400D+02  0.981721D-02
      3   0.317852D-01 -0.171615D-01 -0.206641D-02
      4  -0.850937D+02 -0.345271D+02  0.420269D-02
      5  -0.110525D-01  0.634933D+01  0.165766D-01
      6  -0.633570D+01  0.880720D-03 -0.129690D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.930105D+00  0.235216D+01 -0.180011D+01  0.846414D+00  0.112593D+01
      2   0.235216D+01  0.260956D+01 -0.367989D+01  0.112593D+01  0.361829D+01
      3  -0.180011D+01 -0.367989D+01 -0.115567D+00 -0.365846D+01 -0.613194D+00
                 6             7             8             9            10 
      1  -0.365846D+01 -0.205426D+01 -0.489176D+01  0.401293D+00  0.484129D+01
      2  -0.613194D+00 -0.489176D+01 -0.141469D+01  0.288304D+01  0.683042D+00
      3   0.180041D+01  0.401293D+00  0.288304D+01 -0.327900D+00  0.257300D+01
                11            12            13            14            15 
      1   0.683042D+00  0.257300D+01  0.249425D+01  0.146865D+01  0.346264D+01
      2   0.416276D+00  0.345045D+01  0.146865D+01 -0.270182D+00 -0.159518D+00
      3   0.345045D+01  0.171254D+01  0.346264D+01 -0.159518D+00 -0.585374D+00
                16            17            18            19            20 
      1   0.395423D+01  0.436801D+01  0.289053D+01 -0.101960D+02 -0.215800D+01
      2   0.436801D+01 -0.494309D+00 -0.376937D+00 -0.215800D+01  0.373116D+00
      3   0.289053D+01 -0.376937D+00  0.325943D+00 -0.436196D+01 -0.242048D+01
                21            22            23            24            25 
      1  -0.436196D+01 -0.475302D+01 -0.696855D+00 -0.298982D+01 -0.299271D+01
      2  -0.242048D+01 -0.696855D+00 -0.153738D+01  0.512044D-01 -0.145538D+01
      3  -0.179622D+01 -0.298982D+01  0.512044D-01  0.285386D+00 -0.209911D+01
                26            27            28            29            30 
      1  -0.145538D+01 -0.209911D+01 -0.677205D+00  0.170357D+01  0.870247D-02
      2   0.121343D+00  0.102134D+01  0.170357D+01  0.706709D+00 -0.171669D+01
      3   0.102134D+01  0.900274D+00  0.870247D-02 -0.171669D+01 -0.119612D-02
                31            32            33            34            35 
      1   0.170847D+01  0.712555D+00  0.173182D+01 -0.218217D-01 -0.228076D-02
      2   0.712555D+00 -0.172317D+01 -0.310356D-02 -0.228076D-02 -0.171285D-01
      3   0.173182D+01 -0.310356D-02 -0.487579D-02 -0.835279D-03 -0.325128D-03
                36            37            38            39            40 
      1  -0.835279D-03 -0.241604D+01 -0.256015D+01  0.163385D+01 -0.860441D+00
      2  -0.325128D-03 -0.256015D+01 -0.622737D+01  0.373023D+01 -0.401123D+01
      3   0.832508D-02  0.163385D+01  0.373023D+01 -0.196636D+00  0.316446D+01
                41            42            43            44            45 
      1  -0.401123D+01  0.316446D+01  0.863293D+00  0.205726D+01  0.428126D+00
      2  -0.694982D+01  0.266420D+01  0.205726D+01  0.204700D+01 -0.228943D+01
      3   0.266420D+01 -0.179937D+01  0.428126D+00 -0.228943D+01 -0.901282D+00
                46            47            48            49            50 
      1   0.114555D+02  0.738434D+00  0.540363D+01 -0.201459D+01 -0.925727D-03
      2   0.738434D+00 -0.370946D+00 -0.991706D+00 -0.925727D-03 -0.153337D+01
      3   0.540363D+01 -0.991706D+00  0.165827D+01 -0.155201D+01 -0.110045D+01
                51            52            53            54            55 
      1  -0.155201D+01  0.352206D+01 -0.507632D+00  0.177091D+01 -0.549589D+01
      2  -0.110045D+01 -0.507632D+00 -0.633403D+00  0.152001D+01 -0.324847D+00
      3   0.735811D+00  0.177091D+01  0.152001D+01 -0.899431D+00 -0.409300D+01
                56            57            58            59            60 
      1  -0.324847D+00 -0.409300D+01  0.170922D+01 -0.712300D+00  0.234807D+01
      2  -0.156258D+00  0.233303D+01 -0.712300D+00 -0.880679D+00  0.168416D+01
      3   0.233303D+01 -0.150196D+01  0.234807D+01  0.168416D+01 -0.999135D+00
                61            62            63            64            65 
      1  -0.581291D+01  0.271234D+01 -0.269990D+01 -0.253839D+01  0.280269D+01
      2   0.271234D+01  0.235557D+01 -0.109189D+01  0.280269D+01 -0.202921D+01
      3  -0.269990D+01 -0.109189D+01 -0.330781D+00  0.352152D+01 -0.291495D+01
                66            67            68            69            70 
      1   0.352152D+01  0.975226D+00 -0.981808D+00 -0.289796D+01  0.440389D+01
      2  -0.291495D+01 -0.981808D+00  0.245855D+01 -0.111335D+01 -0.410568D+01
      3  -0.351345D+00 -0.289796D+01 -0.111335D+01  0.176958D+01 -0.112524D+01
                71            72            73            74            75 
      1  -0.410568D+01 -0.112524D+01  0.461214D+01 -0.433409D+01 -0.339630D+01
      2  -0.950801D+00  0.268609D+01 -0.433409D+01  0.572765D+01  0.354554D+01
      3   0.268609D+01  0.328540D+00 -0.339630D+01  0.354554D+01  0.648465D+00
                76            77            78            79            80 
      1  -0.212652D+01  0.402469D+01  0.297742D+01 -0.192442D+01  0.207646D+01
      2   0.402469D+01 -0.323323D+01 -0.906956D+00  0.207646D+01 -0.956462D+00
      3   0.297742D+01 -0.906956D+00 -0.169574D+01  0.171715D+00 -0.232689D+01
                81            82            83            84            85 
      1   0.171715D+00 -0.131317D+01  0.838259D+00  0.128669D+01  0.121385D+01
      2  -0.232689D+01  0.838259D+00  0.774487D+00 -0.269775D+00  0.354690D+01
      3   0.900445D+00  0.128669D+01 -0.269775D+00  0.114617D+01 -0.839271D+00
                86            87            88            89            90 
      1   0.354690D+01 -0.839271D+00  0.589014D+00 -0.616729D+00  0.193154D+01
      2   0.104090D+02 -0.558848D+01 -0.616729D+00 -0.348661D+01  0.130493D+01
      3  -0.558848D+01  0.140820D+01  0.193154D+01  0.130493D+01  0.901223D+00
                91            92            93            94            95 
      1  -0.119596D+01 -0.388490D+00 -0.246857D+01 -0.383044D+00 -0.160109D+01
      2  -0.388490D+00  0.505623D+00 -0.558567D+00 -0.160109D+01 -0.528473D+01
      3  -0.246857D+01 -0.558567D+00 -0.136430D+01 -0.541875D+00  0.488053D+01
                96            97            98            99           100 
      1  -0.541875D+00 -0.316286D+01 -0.263953D+00 -0.177123D+01  0.160751D+01
      2   0.488053D+01 -0.263953D+00  0.662288D+01 -0.231442D+01 -0.578183D+00
      3  -0.119150D+01 -0.177123D+01 -0.231442D+01  0.320824D+00  0.226271D+01
               101           102           103           104           105 
      1  -0.578183D+00  0.226271D+01 -0.110918D+01  0.253480D+01  0.133522D+01
      2   0.494868D+00  0.132165D+01  0.253480D+01 -0.419551D+01 -0.467605D+01
      3   0.132165D+01  0.162265D+01  0.133522D+01 -0.467605D+01 -0.797058D+00
               106           107           108           109           110 
      1   0.266178D+01  0.217638D+01  0.230251D+01 -0.169894D+00  0.257051D+01
      2   0.217638D+01 -0.611531D+01 -0.178428D+01  0.257051D+01 -0.227457D+01
      3   0.230251D+01 -0.178428D+01 -0.321314D+00 -0.570475D+00 -0.189451D+01
               111           112           113           114           115 
      1  -0.570475D+00  0.362789D+01 -0.487231D+01 -0.246029D+01 -0.416815D-01
      2  -0.189451D+01 -0.487231D+01  0.775920D+01  0.487941D+01 -0.154526D+01
      3  -0.146429D+01 -0.246029D+01  0.487941D+01  0.106660D+01 -0.220347D+01
               116           117           118           119           120 
      1  -0.154526D+01 -0.220347D+01 -0.487891D+00 -0.951531D+00  0.278562D+00
      2   0.290724D+01  0.768277D+00 -0.951531D+00 -0.412920D+00  0.420817D+00
      3   0.768277D+00 -0.906700D+00  0.278562D+00  0.420817D+00 -0.273572D+00
               121           122           123           124           125 
      1  -0.146867D+01  0.549000D+00  0.109425D+00  0.749466D+00  0.260563D+00
      2   0.549000D+00 -0.510375D+01  0.163486D+01  0.260563D+00  0.278534D+01
      3   0.109425D+00  0.163486D+01 -0.148783D+01  0.249337D+00 -0.201013D+01
               126           127           128           129           130 
      1   0.249337D+00  0.692652D+01 -0.334812D+01 -0.242152D+01 -0.267983D+01
      2  -0.201013D+01 -0.334812D+01  0.279363D+01  0.144247D+01  0.275843D+01
      3   0.210533D+01 -0.242152D+01  0.144247D+01  0.175234D+01  0.134333D+01
               131           132           133           134           135 
      1   0.275843D+01  0.134333D+01 -0.397106D+01  0.281067D+01  0.276493D+01
      2  -0.347409D+01 -0.119458D+01  0.281067D+01 -0.207709D+01 -0.218297D+01
      3  -0.119458D+01 -0.119704D+01  0.276493D+01 -0.218297D+01 -0.266824D+01
               136           137           138           139           140 
      1   0.307879D+01  0.131084D+01 -0.697116D+00  0.235263D+01  0.125465D+01
      2   0.131084D+01  0.946367D+00 -0.524630D+00  0.125465D+01  0.291084D+01
      3  -0.697116D+00 -0.524630D+00  0.864512D+00 -0.832690D+00 -0.121566D+01
               141           142           143           144           145 
      1  -0.832690D+00 -0.150893D+01 -0.101859D+01  0.160171D+01  0.991525D+01
      2  -0.121566D+01 -0.101859D+01 -0.201671D+01  0.123751D+01 -0.120992D+01
      3   0.124027D+01  0.160171D+01  0.123751D+01 -0.210305D+01  0.319769D+01
               146           147           148           149           150 
      1  -0.120992D+01  0.319769D+01 -0.170752D+01  0.175018D+01 -0.675298D+00
      2   0.130148D+01 -0.575738D+00  0.175018D+01 -0.864767D+00  0.419851D+00
      3  -0.575738D+00  0.208458D+01 -0.675298D+00  0.419851D+00 -0.401073D+00
               151           152           153           154           155 
      1   0.582523D+01 -0.970206D+00  0.349680D+01  0.383825D+01  0.134439D+01
      2  -0.970206D+00  0.221227D+00 -0.425936D+00  0.134439D+01  0.229058D+01
      3   0.349680D+01 -0.425936D+00  0.266893D+01  0.152579D+01  0.609892D+00
               156           157           158           159           160 
      1   0.152579D+01  0.773551D+00  0.136384D+01  0.299175D+00  0.250160D+01
      2   0.609892D+00  0.136384D+01  0.173106D+01  0.392295D+00  0.749569D+00
      3   0.142516D+01  0.299175D+00  0.392295D+00  0.508792D+00  0.161789D+01
               161           162           163           164           165 
      1   0.749569D+00  0.161789D+01  0.306395D+00  0.155089D+01 -0.295454D+00
      2   0.103655D+01  0.122093D+01  0.155089D+01  0.173194D+00 -0.119010D+00
      3   0.122093D+01  0.211156D+01 -0.295454D+00 -0.119010D+00  0.163693D+00
               166           167           168           169           170 
      1   0.124759D+01  0.767824D+00 -0.216535D+00 -0.117661D+00 -0.588311D+00
      2   0.767824D+00  0.102458D+02 -0.332025D+01 -0.588311D+00 -0.592742D+01
      3  -0.216535D+00 -0.332025D+01  0.211601D+01  0.511798D+00  0.348324D+01
               171           172           173           174           175 
      1   0.511798D+00 -0.463447D+01  0.112296D+01 -0.167430D+01  0.331862D+00
      2   0.348324D+01  0.112296D+01 -0.192933D+01  0.269316D+00 -0.117254D+01
      3  -0.266567D+01 -0.167430D+01  0.269316D+00 -0.150762D+01 -0.382549D-01
               176           177           178           179           180 
      1  -0.117254D+01 -0.382549D-01 -0.277466D+01  0.291473D+00 -0.187488D+01
      2   0.506244D+00 -0.243186D+00  0.291473D+00 -0.766891D+00  0.767554D+00
      3  -0.243186D+00  0.127443D+00 -0.187488D+01  0.767554D+00 -0.211191D+01
               181           182           183           184           185 
      1  -0.158682D+01  0.200757D+01  0.573117D+00  0.186526D+01 -0.245339D+01
      2   0.200757D+01 -0.180308D+01 -0.842112D+00 -0.245339D+01  0.913420D+01
      3   0.573117D+00 -0.842112D+00 -0.696763D+00 -0.938557D+00  0.304155D+01
               186           187           188           189           190 
      1  -0.938557D+00  0.782011D+00 -0.194095D+01 -0.137996D+01 -0.422878D+01
      2   0.304155D+01 -0.194095D+01  0.526130D+01  0.323643D+01  0.902595D+00
      3   0.200280D+01 -0.137996D+01  0.323643D+01  0.266320D+01  0.106607D+01
               191           192           193           194           195 
      1   0.902595D+00  0.106607D+01  0.199771D+01 -0.102776D+01 -0.872192D+00
      2  -0.996807D+00 -0.562848D+00 -0.102776D+01  0.207545D+01  0.851446D+00
      3  -0.562848D+00 -0.115028D+01 -0.872192D+00  0.851446D+00  0.981540D+00
               196           197           198           199           200 
      1   0.205224D+01 -0.100798D+01 -0.186359D+01 -0.827756D+01 -0.262412D+01
      2  -0.100798D+01  0.149223D+01  0.792559D+00 -0.262412D+01 -0.191774D+01
      3  -0.186359D+01  0.792559D+00  0.211000D+01 -0.271093D+01 -0.117676D+01
               201           202           203           204           205 
      1  -0.271093D+01 -0.298432D+01 -0.247561D+01 -0.127327D+01 -0.498806D+01
      2  -0.117676D+01 -0.247561D+01 -0.233835D+01 -0.904740D+00 -0.222143D+01
      3  -0.191427D+01 -0.127327D+01 -0.904740D+00 -0.915302D+00 -0.327297D+01
               206           207           208           209           210 
      1  -0.222143D+01 -0.327297D+01  0.128089D+01 -0.883042D+00 -0.497717D+00
      2  -0.105935D+01 -0.129828D+01 -0.883042D+00  0.125627D+01  0.716651D+00
      3  -0.129828D+01 -0.266666D+01 -0.497717D+00  0.716651D+00  0.640846D+00
               211           212           213           214           215 
      1  -0.113533D+01  0.199018D+00  0.407031D+00 -0.100654D+01  0.724537D+00
      2   0.199018D+00 -0.497551D+01 -0.141740D+01  0.724537D+00 -0.252307D+01
      3   0.407031D+00 -0.141740D+01 -0.137013D+01  0.267310D+00 -0.200791D+01
               216           217           218           219           220 
      1   0.267310D+00 -0.450125D+01 -0.324195D+01  0.165840D+01 -0.260258D+01
      2  -0.200791D+01 -0.324195D+01 -0.333976D+01  0.156457D+01 -0.313390D+01
      3  -0.210642D+01  0.165840D+01  0.156457D+01 -0.139117D+01  0.146539D+01
               221           222           223           224           225 
      1  -0.313390D+01  0.146539D+01  0.246786D+01  0.291243D+01 -0.211835D+01
      2  -0.581691D+01  0.195869D+01  0.291243D+01  0.358017D+01 -0.281407D+01
      3   0.195869D+01 -0.160388D+01 -0.211835D+01 -0.281407D+01  0.266815D+01
               226           227           228           229           230 
      1   0.243231D+01 -0.373617D+00  0.360271D+00 -0.185865D+01  0.122292D+01
      2  -0.373617D+00  0.319374D+01 -0.210109D+01  0.122292D+01 -0.401033D+01
      3   0.360271D+00 -0.210109D+01  0.162780D+01 -0.989879D+00  0.155335D+01
               231           232           233           234           235 
      1  -0.989879D+00  0.452386D+00 -0.110340D+01  0.709548D+00 -0.136415D+01
      2   0.155335D+01 -0.110340D+01  0.811887D+00 -0.962812D+00 -0.298782D+00
      3  -0.141033D+01  0.709548D+00 -0.962812D+00  0.185066D+01  0.112930D+01
               236           237           238           239           240 
      1  -0.298782D+00  0.112930D+01  0.537275D+00  0.117126D+01 -0.874208D+00
      2  -0.339052D+00 -0.146557D+00  0.117126D+01  0.191677D+01 -0.214090D+00
      3  -0.146557D+00 -0.163990D+01 -0.874208D+00 -0.214090D+00  0.150634D+01
               241           242           243           244           245 
      1   0.138734D+01  0.303193D+00 -0.140995D+01 -0.234249D+01  0.140465D+01
      2   0.303193D+00  0.138593D+01 -0.377762D+00  0.140465D+01 -0.183182D+01
      3  -0.140995D+01 -0.377762D+00  0.594943D+01 -0.683651D+00  0.107636D+01
               246           247           248           249           250 
      1  -0.683651D+00  0.369726D+01 -0.917960D+00  0.219023D+01 -0.224733D+00
      2   0.107636D+01 -0.917960D+00  0.328250D+01 -0.123108D+01  0.104231D+01
      3  -0.931923D+00  0.219023D+01 -0.123108D+01  0.194253D+01 -0.740046D+00
               251           252           253           254           255 
      1   0.104231D+01 -0.740046D+00  0.218381D+01  0.498066D+00  0.381965D+00
      2  -0.104288D+01  0.938885D+00  0.498066D+00 -0.267465D+00  0.458865D+00
      3   0.938885D+00 -0.185221D+01  0.381965D+00  0.458865D+00  0.102002D+01
               256           257           258           259           260 
      1  -0.118682D+01 -0.676062D+00 -0.269675D+00 -0.153738D+01 -0.261029D+00
      2  -0.676062D+00 -0.111375D+01 -0.129754D+01 -0.261029D+00 -0.123012D+01
      3  -0.269675D+00 -0.129754D+01 -0.198323D+01 -0.741243D+00 -0.126463D+01
               261           262           263           264           265 
      1  -0.741243D+00 -0.558926D+01  0.343190D+00  0.259069D+01 -0.619384D+00
      2  -0.126463D+01  0.343190D+00 -0.230740D+01 -0.299264D+00 -0.389000D-01
      3  -0.595530D+01  0.259069D+01 -0.299264D+00 -0.203277D+01  0.812327D+00
               266           267           268           269           270 
      1  -0.389000D-01  0.812327D+00  0.167728D+01  0.398049D+00 -0.118665D+01
      2  -0.132433D+01 -0.679249D+00  0.398049D+00 -0.413141D+00 -0.134188D+00
      3  -0.679249D+00 -0.703674D+00 -0.118665D+01 -0.134188D+00  0.184916D+01
               271           272           273           274           275 
      1   0.650702D+00 -0.879211D+00  0.561628D+00  0.110930D-01  0.846509D+00
      2  -0.879211D+00  0.232779D+01  0.120078D+01  0.846509D+00  0.237558D+00
      3   0.561628D+00  0.120078D+01  0.212272D+01  0.472384D+00  0.353727D+00
               276           277           278           279           280 
      1   0.472384D+00  0.112396D+01 -0.153983D+00  0.374542D+00  0.521542D+01
      2   0.353727D+00 -0.153983D+00  0.165341D+01  0.141611D+01  0.101752D+01
      3   0.670282D+00  0.374542D+00  0.141611D+01  0.595800D+01 -0.250677D+01
               281           282           283           284           285 
      1   0.101752D+01 -0.250677D+01  0.666628D+00  0.481348D+00 -0.250489D-01
      2   0.292112D+01 -0.113493D+01  0.481348D+00 -0.529278D+00  0.592190D+00
      3  -0.113493D+01  0.214507D+01 -0.250489D-01  0.592190D+00 -0.162234D+00
               286           287           288           289           290 
      1  -0.174209D+01 -0.167453D+00  0.118270D+01 -0.420954D+00 -0.140450D+00
      2  -0.167453D+00  0.474219D+00  0.171763D+00 -0.140450D+00 -0.250687D+01
      3   0.118270D+01  0.171763D+00 -0.184895D+01 -0.958034D+00  0.104096D+01
               291           292           293           294           295 
      1  -0.958034D+00  0.350984D+00 -0.856858D+00  0.314402D+00 -0.107880D+01
      2   0.104096D+01 -0.856858D+00 -0.854796D+00  0.450488D-01 -0.283206D-02
      3  -0.221986D+01  0.314402D+00  0.450488D-01  0.110051D+00 -0.721113D+00
               296           297           298           299           300 
      1  -0.283206D-02 -0.721113D+00  0.745174D+00  0.107570D+01 -0.833813D-01
      2  -0.168679D+01  0.127240D+01  0.107570D+01  0.151020D+01  0.731392D+00
      3   0.127240D+01 -0.595399D+01 -0.833813D-01  0.731392D+00  0.406542D+00
               301           302           303           304           305 
      1   0.352221D+01  0.121342D+01  0.184268D+01 -0.233180D+00  0.706628D+00
      2   0.121342D+01  0.429401D+01  0.199829D+01  0.706628D+00  0.150094D+01
      3   0.184268D+01  0.199829D+01  0.211876D+01  0.478317D+00  0.109886D+01
               306           307           308           309           310 
      1   0.478317D+00 -0.180584D+01 -0.308691D+00 -0.320700D+00 -0.203903D+01
      2   0.109886D+01 -0.308691D+00  0.541959D+00  0.369328D-01  0.509004D+00
      3   0.185501D+01 -0.320700D+00  0.369328D-01 -0.479953D+00 -0.693711D+00
               311           312           313           314           315 
      1   0.509004D+00 -0.693711D+00  0.165254D+01 -0.153253D+00  0.103534D+01
      2  -0.675370D+00  0.123951D+01 -0.153253D+00  0.112681D+01 -0.103600D+01
      3   0.123951D+01 -0.217926D+01  0.103534D+01 -0.103600D+01  0.595194D+01
               316           317           318           319           320 
      1  -0.187192D+01 -0.187087D-02  0.320300D+00 -0.193201D+01 -0.553632D+00
      2  -0.187087D-02 -0.208596D+01 -0.160869D+01 -0.553632D+00 -0.516807D+01
      3   0.320300D+00 -0.160869D+01 -0.121724D+01 -0.496348D+00 -0.223905D+01
               321           322           323           324           325 
      1  -0.496348D+00  0.653737D-01 -0.875870D+00 -0.443366D+00  0.109383D+01
      2  -0.223905D+01 -0.875870D+00 -0.133536D+01 -0.111344D+01  0.338022D+00
      3  -0.178073D+01 -0.443366D+00 -0.111344D+01 -0.185526D+01 -0.793882D+00
               326           327           328           329           330 
      1   0.338022D+00 -0.793882D+00  0.153156D+01 -0.131781D+01 -0.114065D+01
      2  -0.680492D-01 -0.411705D+00 -0.131781D+01  0.127790D+01 -0.122361D+00
      3  -0.411705D+00  0.120546D+01 -0.114065D+01 -0.122361D+00  0.187695D+01
               331           332           333 
      1  -0.153783D+01  0.264087D+00  0.146507D+01
      2   0.264087D+00 -0.123652D+01 -0.766109D-02
      3   0.146507D+01 -0.766109D-02 -0.595190D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.464552D+01 -0.552197D+01 -0.474761D+01 -0.719843D+01  0.335252D+01
      2   0.545468D+01  0.434419D+01  0.694977D+01  0.498555D+01 -0.470992D+01
      3   0.350567D+01 -0.769475D+01  0.204498D+01 -0.145509D+01  0.320797D+01
                 6             7             8             9            10 
      1   0.209944D+01 -0.531617D+01  0.365771D+01  0.107171D+01 -0.166170D+01
      2  -0.194491D+01  0.298074D+01 -0.574239D+00 -0.900933D+00  0.184580D-02
      3   0.955263D+01 -0.507790D+00  0.136947D+02  0.596667D+01 -0.868352D+00
                11            12            13            14            15 
      1   0.450053D+01 -0.183294D+00  0.431569D+01  0.205262D+01 -0.558345D+01
      2  -0.988844D+01 -0.753384D+00 -0.811592D+01 -0.143958D+01  0.686068D+01
      3   0.759507D+00  0.976565D+01  0.695433D+01 -0.584859D+01 -0.560161D+00
                16            17            18            19            20 
      1  -0.814396D+00 -0.132001D+01 -0.607835D+00  0.517566D+01 -0.959760D+01
      2  -0.190569D+01  0.674543D+01  0.133857D+01  0.166773D+02  0.497702D+01
      3   0.130877D+02 -0.412799D+01 -0.598867D+01 -0.128646D+02  0.742134D+01
                21            22            23            24            25 
      1   0.668501D+01 -0.158097D+02 -0.185108D+00 -0.933192D+01  0.457464D+01
      2  -0.339810D+00 -0.239612D+01  0.866357D+00 -0.889826D+01 -0.246309D+02
      3  -0.928670D+01  0.269010D+02  0.424323D+01  0.103038D+02 -0.312407D+01
                26            27            28            29            30 
      1   0.365417D-02  0.267765D+00  0.889527D-01 -0.449320D+00 -0.265510D-01
      2  -0.100957D+02 -0.183033D+02 -0.189989D+00 -0.302379D+00  0.172733D+01
      3   0.640911D+01  0.266894D+01 -0.923709D-01 -0.708032D+00  0.116001D+00
                31            32            33            34            35 
      1  -0.278461D+00 -0.235888D+00 -0.166754D+01  0.960245D-01 -0.313164D+01
      2  -0.167580D+00  0.282965D+00 -0.106894D+00  0.344310D+01 -0.300860D+00
      3   0.618954D+00  0.188421D+00  0.448379D-02  0.102674D+00 -0.194530D-01
                36            37            38            39            40 
      1  -0.300714D+00  0.867117D+00 -0.194223D+01  0.103003D+02  0.679627D+01
      2   0.983970D-01 -0.684918D+01 -0.125815D+02  0.462433D+01 -0.851660D+01
      3   0.103305D+00 -0.118857D+02 -0.201793D+02  0.745733D+01 -0.628578D+00
                41            42            43            44            45 
      1   0.173428D+02 -0.430960D+01  0.154202D+02  0.191618D+02 -0.175717D+02
      2   0.697092D+01 -0.802121D+01 -0.551397D+01 -0.986217D+01  0.500860D+01
      3   0.204339D+02 -0.116917D+02  0.526330D+01 -0.468969D+01 -0.266451D+01
                46            47            48            49            50 
      1  -0.275367D+01 -0.871975D+01 -0.328323D+01 -0.167147D+02 -0.638757D+01
      2   0.160300D+02 -0.324891D+01 -0.359461D+01  0.222907D+01 -0.424010D+00
      3   0.329927D+01  0.944939D+01  0.635867D+01  0.289877D+02  0.514404D+01
                51            52            53            54            55 
      1  -0.125346D+02  0.237199D+01 -0.204716D+01  0.447604D+01  0.456238D+00
      2   0.563206D+01 -0.268078D+02  0.329443D+01 -0.178534D+02 -0.452349D+01
      3   0.123665D+02  0.145900D+01  0.704768D+01 -0.273390D+01 -0.688732D+00
                56            57            58            59            60 
      1   0.237074D+01  0.127975D+01  0.264622D+01 -0.433876D+00 -0.345401D+01
      2   0.999025D+01  0.140574D+01  0.820129D+01  0.309043D+01 -0.796153D+01
      3  -0.939112D+00 -0.929426D+01  0.528193D+01  0.741790D+01 -0.304031D+01
                61            62            63            64            65 
      1   0.112053D+01  0.751255D+00  0.256078D+00  0.520855D+01 -0.234175D+01
      2   0.105928D+00 -0.699998D+01  0.140404D+01  0.868549D+01 -0.191871D+01
      3  -0.115935D+02 -0.733400D+01  0.594424D+01 -0.121946D+01 -0.719280D+01
                66            67            68            69            70 
      1   0.234400D+01 -0.377501D+01 -0.416748D+01  0.220432D+01  0.344021D+01
      2   0.704344D+01 -0.295046D+01 -0.768237D+01  0.431468D+01  0.377057D+01
      3  -0.438762D+01 -0.970846D+00 -0.549875D+01  0.874442D+01 -0.299199D+01
                71            72            73            74            75 
      1   0.435503D+01 -0.845051D+00 -0.157299D+00 -0.238119D+00 -0.925453D+01
      2   0.245691D+01 -0.119584D+01 -0.115529D+02  0.809246D+01  0.142209D+00
      3   0.134212D+02 -0.595398D+01  0.149758D+02 -0.108632D+02 -0.432100D+01
                76            77            78            79            80 
      1   0.919586D+01 -0.174395D+02 -0.883450D+01 -0.172249D+02  0.120913D+02
      2   0.632414D+01  0.709263D+01  0.694866D+01 -0.126672D+02  0.116145D+02
      3   0.865557D+01 -0.234260D+02 -0.132063D+02 -0.396961D+01 -0.598782D+01
                81            82            83            84            85 
      1   0.157933D+02 -0.281909D+01  0.266011D+01 -0.833122D+00 -0.609952D+00
      2   0.940613D+01 -0.124065D+02 -0.151493D+02  0.136143D+02 -0.611583D+01
      3   0.270304D+01 -0.149304D+02 -0.257663D+02  0.135347D+02 -0.632110D+01
                86            87            88            89            90 
      1   0.155414D+02  0.469411D+01  0.422649D+01  0.248531D+02 -0.159477D+02
      2  -0.731774D+00 -0.139455D+01  0.187100D+00 -0.974509D+01  0.893303D+01
      3   0.625064D+01  0.291092D+01  0.706813D+01 -0.465657D+00  0.266262D+01
                91            92            93            94            95 
      1   0.714558D+01  0.552900D+01  0.785845D+01  0.716292D+01 -0.858163D+01
      2  -0.101655D+01  0.109904D+01  0.956612D+00  0.388958D+00  0.140910D+01
      3  -0.793304D+01 -0.290036D+01 -0.535428D+01  0.331681D+01  0.122627D+01
                96            97            98            99           100 
      1  -0.385685D+01  0.624183D+01 -0.210821D+01  0.146225D+01 -0.881106D+01
      2  -0.117203D+01 -0.275762D+01 -0.333616D+00 -0.143140D+00 -0.284122D+01
      3  -0.817163D+01 -0.101042D+02 -0.928844D+01 -0.597968D+01  0.720895D+01
               101           102           103           104           105 
      1   0.123403D+01 -0.654892D+01  0.262519D+01  0.100767D+02 -0.591863D+01
      2  -0.133723D+01 -0.105629D+01 -0.223867D+00  0.357680D+01 -0.147551D+00
      3  -0.670793D+00  0.725142D+01  0.555995D+01 -0.519549D+00 -0.654603D+01
               106           107           108           109           110 
      1  -0.463663D+01 -0.342368D+01 -0.136873D+01  0.541980D+01  0.406625D+01
      2  -0.405652D+01 -0.128462D+01 -0.501769D+00 -0.159915D+02  0.124029D+02
      3   0.121378D+02 -0.636644D+01  0.599238D+01  0.214022D+02 -0.185061D+02
               111           112           113           114           115 
      1  -0.359409D+01  0.317205D+01 -0.143152D+02  0.338628D+01 -0.945655D+01
      2   0.123456D+02  0.274333D+01  0.132125D+00  0.588140D+01 -0.482005D+01
      3  -0.138790D+02  0.975983D+00 -0.128242D+02 -0.635878D+00 -0.681399D+01
               116           117           118           119           120 
      1   0.198171D+02  0.132394D+02  0.940118D+00  0.128720D+01 -0.152258D+01
      2   0.150417D+02  0.127655D+02  0.101051D+01  0.136475D+01 -0.639737D+00
      3  -0.229713D+01 -0.269846D+01  0.629720D+01  0.331759D+01 -0.233634D+01
               121           122           123           124           125 
      1   0.499137D+00  0.485706D+01 -0.520079D+01  0.105776D+00 -0.388845D+01
      2   0.719826D+00  0.539556D+01 -0.388825D+01 -0.181853D+01 -0.523142D+01
      3   0.388018D+01  0.132432D+02 -0.538487D+01 -0.386319D+01 -0.908011D+01
               126           127           128           129           130 
      1   0.625358D+01 -0.242886D+01  0.131513D+01  0.337420D+01  0.819815D+00
      2   0.687233D+01 -0.174463D+01  0.221494D+01  0.505254D+01  0.114398D+01
      3   0.516883D+01 -0.550484D+01 -0.213657D+01  0.615516D+00 -0.796284D+00
               131           132           133           134           135 
      1  -0.269975D+00 -0.268894D+01  0.190847D+01 -0.430022D+00 -0.408434D+01
      2  -0.119960D+01 -0.341049D+01  0.184232D+00 -0.177370D+01 -0.585037D+01
      3   0.437511D+01  0.899194D+00  0.404334D+01 -0.821789D+00  0.177621D+00
               136           137           138           139           140 
      1  -0.126941D+00 -0.232297D+00 -0.201844D+00 -0.133014D+00 -0.335300D+00
      2  -0.295659D+01 -0.243362D+01  0.349900D+01 -0.344631D+01 -0.565215D+01
      3  -0.620637D+01 -0.378966D+01  0.217284D+01 -0.321396D+01 -0.133336D+02
               141           142           143           144           145 
      1  -0.106855D+01 -0.273232D+00  0.165665D+01 -0.479208D+00  0.544548D+00
      2   0.560794D+01  0.374825D+01  0.538873D+01 -0.925734D+01  0.391966D+01
      3   0.544869D+01  0.371838D+01  0.912908D+01 -0.516468D+01 -0.940397D+00
               146           147           148           149           150 
      1   0.770799D+00  0.123269D+01  0.358670D+00 -0.351628D+00 -0.490532D+00
      2  -0.419458D+00  0.725609D+01 -0.152255D+01  0.594157D-01 -0.118897D+01
      3  -0.560082D+01 -0.208042D+00 -0.425748D+01  0.207589D+01 -0.107022D+01
               151           152           153           154           155 
      1  -0.175370D+00  0.153725D+01  0.128037D+01 -0.682767D+01 -0.228944D+01
      2   0.215378D+01  0.431629D-01  0.702067D+01  0.142387D+01  0.569364D+00
      3   0.342009D+01 -0.229148D+01 -0.182867D+00  0.145798D+02  0.910818D+00
               156           157           158           159           160 
      1  -0.582461D+01 -0.133235D+01 -0.162121D+01 -0.186654D+01 -0.637256D+01
      2   0.271261D+01  0.205424D+00  0.390158D+00  0.422260D+00  0.154225D+00
      3   0.583272D+01  0.150640D+01  0.491024D+01  0.659654D+00  0.979579D+01
               161           162           163           164           165 
      1  -0.192560D+01 -0.908971D+01 -0.155647D+00 -0.262531D+00 -0.703850D+00
      2   0.124509D+01  0.198011D+01  0.418195D-01  0.593187D+00  0.342696D+00
      3   0.117992D+01  0.516937D+01  0.642194D+00  0.433357D+01 -0.108939D+01
               166           167           168           169           170 
      1   0.912037D+00  0.406831D+01 -0.740251D+01 -0.970986D+00 -0.185268D+01
      2   0.700340D+00 -0.911161D+00  0.657863D+00 -0.122395D+01  0.109542D+01
      3   0.568268D+01 -0.177137D+01  0.797823D-01 -0.131009D+01  0.390909D+01
               171           172           173           174           175 
      1   0.710302D+01  0.674823D+01 -0.663339D+00  0.521540D+01  0.168954D+00
      2  -0.615675D+00  0.337709D+01 -0.445435D+00  0.418954D+01  0.139915D+00
      3   0.183780D+00 -0.145483D+02 -0.164931D+01 -0.581769D+01 -0.107639D+01
               176           177           178           179           180 
      1   0.989338D+00 -0.358244D+00  0.633628D+01  0.775939D-01  0.829075D+01
      2   0.535764D+00  0.207876D+00  0.214160D+01 -0.119446D+01  0.423040D+01
      3  -0.499082D+01 -0.863658D+00 -0.979022D+01 -0.137839D+01 -0.518241D+01
               181           182           183           184           185 
      1  -0.337124D+00  0.775101D+00  0.234974D+01  0.194287D+01 -0.321594D+01
      2   0.221125D+00 -0.835851D-01  0.113621D+01  0.112374D+00 -0.204635D+01
      3  -0.294779D+01  0.308822D+01  0.102858D+01  0.444635D+01  0.407325D+01
               186           187           188           189           190 
      1  -0.661150D+01  0.159073D+01 -0.113767D+01 -0.670494D+01  0.138655D+01
      2  -0.230191D+01 -0.518167D+00 -0.171741D+01 -0.239587D+01 -0.438574D+01
      3   0.353218D+00  0.269260D+00  0.410929D+01 -0.186220D+00  0.835933D+01
               191           192           193           194           195 
      1  -0.939562D+00 -0.765379D+00 -0.110264D+01  0.126096D+01  0.201435D+00
      2   0.256312D+01  0.476071D+01  0.355026D+01 -0.386576D+01 -0.465307D+01
      3  -0.508600D+01 -0.349448D+01 -0.448458D+01  0.111666D+02  0.473509D+01
               196           197           198           199           200 
      1  -0.141777D+01  0.271674D+01  0.282442D+01 -0.155053D+01  0.142581D+00
      2   0.476230D+01 -0.372566D+01 -0.887713D+01  0.290776D+01  0.133048D+01
      3  -0.590880D+01  0.793048D+01  0.518041D+01  0.317126D+01 -0.422607D+01
               201           202           203           204           205 
      1  -0.273280D+01 -0.539872D+00  0.346486D+00 -0.151843D+01 -0.744375D+00
      2   0.622459D+01  0.229641D+01  0.911226D+00  0.269500D+01  0.196186D+01
      3   0.468966D+00 -0.287052D+01 -0.428979D+01 -0.979879D+00 -0.273053D+01
               206           207           208           209           210 
      1   0.135160D+01 -0.301464D+01 -0.204518D+01  0.265287D+01  0.309174D+01
      2   0.875298D+00  0.645546D+01  0.132650D+01 -0.168501D+01 -0.836574D+00
      3  -0.308339D+01  0.179268D+00 -0.848897D+01  0.453286D+01  0.363490D+01
               211           212           213           214           215 
      1   0.170919D+01 -0.519145D+01 -0.540153D+01  0.161665D+01 -0.486052D+01
      2  -0.125124D+01  0.339247D+01  0.230904D+01 -0.274856D+01  0.349567D+01
      3   0.509289D+01 -0.110251D+02 -0.460016D+01  0.604012D+01 -0.779326D+01
               216           217           218           219           220 
      1  -0.777644D+01  0.193725D+01  0.219753D+01 -0.351932D+01  0.144395D+01
      2   0.505160D+01 -0.408722D+00 -0.162893D+01  0.323994D+01 -0.721164D+00
      3  -0.516159D+01  0.559257D+01  0.476813D+00 -0.823907D+00  0.182009D+01
               221           222           223           224           225 
      1   0.142963D+01 -0.451507D+01 -0.161871D+01 -0.133569D+01  0.544165D+01
      2  -0.176083D+01  0.356110D+01 -0.700778D+00  0.148880D+01 -0.462459D+01
      3  -0.445773D+01  0.722125D+00 -0.370270D+01 -0.181625D+01 -0.183304D+00
               226           227           228           229           230 
      1   0.647188D+00  0.449630D+01  0.906195D-01  0.916611D+00 -0.192940D+01
      2  -0.672969D+01  0.475688D+01 -0.259578D+01  0.412990D+01 -0.401516D+01
      3  -0.833931D+01  0.647851D+01 -0.418690D+01  0.610058D+01 -0.585986D+01
               231           232           233           234           235 
      1  -0.112743D+01  0.992159D+00 -0.691557D+00  0.156145D+01  0.221505D+01
      2   0.296826D+01 -0.256499D+01  0.188429D+01 -0.264097D+01  0.812910D+00
      3   0.320552D+01 -0.120888D+01  0.203284D+01 -0.306305D+01  0.187444D+01
               236           237           238           239           240 
      1  -0.124959D+01 -0.382122D+01 -0.200176D+01 -0.650522D+00  0.525085D+01
      2   0.511773D+00  0.427323D+00 -0.165457D+01 -0.170029D+01 -0.496479D-01
      3  -0.996910D+00 -0.233593D+01 -0.203818D+01 -0.257302D+01  0.253193D+01
               241           242           243           244           245 
      1  -0.309239D+01  0.117489D+01  0.123890D+02 -0.196770D+01  0.302144D+01
      2  -0.185360D+01 -0.719664D-02 -0.280129D+01  0.166553D+00  0.414804D+00
      3  -0.258741D+01 -0.118108D+00  0.270368D+01  0.282063D+01 -0.457710D+01
               246           247           248           249           250 
      1  -0.179467D+01  0.459162D+01 -0.876772D+01  0.308889D+01 -0.980589D+00
      2   0.161578D+01  0.371738D+01  0.145690D+01 -0.122555D+01  0.668247D+00
      3   0.196966D+01 -0.497877D+01  0.114026D+02 -0.489518D+01  0.162149D+01
               251           252           253           254           255 
      1   0.257848D+01 -0.213538D+01 -0.207955D+01 -0.119474D+01 -0.114513D+01
      2  -0.190810D+01  0.218764D+01 -0.744166D+00 -0.763279D+00 -0.390094D+01
      3  -0.171323D+01  0.306294D+01  0.303011D+01  0.688017D+00  0.181835D+01
               256           257           258           259           260 
      1   0.112953D+01  0.167513D+01  0.933660D+00  0.405793D+00  0.259157D+01
      2  -0.599477D+00  0.246784D+01  0.498200D+01 -0.405373D+00  0.268174D+01
      3  -0.369503D+00 -0.232130D+01 -0.292057D+01 -0.844492D+00 -0.244126D+01
               261           262           263           264           265 
      1   0.583983D+00 -0.559270D+01 -0.344358D+01  0.385724D+01 -0.220439D+01
      2   0.126735D+02  0.743210D+01  0.202211D+00 -0.105375D+01  0.363096D+01
      3  -0.270275D+01 -0.119495D+02 -0.402760D+01  0.486383D+01 -0.442519D+01
               266           267           268           269           270 
      1  -0.312681D+01  0.419709D+00  0.307364D+01  0.137786D+01 -0.305677D+01
      2  -0.910128D+00 -0.808635D+00 -0.500105D+00 -0.164214D+00 -0.146298D-01
      3  -0.233122D+01  0.201037D+01  0.235854D+01  0.124049D-01 -0.307823D+01
               271           272           273           274           275 
      1  -0.124991D+01  0.938012D+00 -0.344339D+01 -0.555754D+00 -0.341756D+00
      2  -0.102305D+01 -0.332480D+01 -0.547897D+01 -0.153574D+01  0.437255D-01
      3  -0.132366D+00  0.319802D+01  0.336462D+01  0.213774D+01 -0.532763D+00
               276           277           278           279           280 
      1  -0.654839D+00 -0.486595D+00  0.346813D+00 -0.862284D+01  0.460362D+01
      2  -0.412632D+00 -0.268390D+01 -0.261553D+01 -0.934700D+01  0.929995D+01
      3   0.751760D+00  0.119849D+01  0.229256D+01  0.270854D+01  0.133974D+02
               281           282           283           284           285 
      1  -0.294112D+01 -0.339907D+01 -0.845743D+00  0.216065D+01 -0.707304D+00
      2   0.138133D+01 -0.213146D+01 -0.158842D+01 -0.801590D+00  0.362173D+00
      3  -0.116318D+01 -0.520698D+01 -0.149942D+01  0.849920D+00  0.712178D+00
               286           287           288           289           290 
      1  -0.307272D+01  0.531090D+00  0.296524D+01  0.154676D+01  0.349068D+00
      2  -0.137404D+01  0.200439D+00  0.735017D+00 -0.170877D+01  0.297948D+01
      3  -0.229781D+01 -0.551202D+00  0.305619D+01 -0.109368D+01  0.278299D+01
               291           292           293           294           295 
      1   0.472693D+01 -0.647283D+00  0.685848D-01  0.506462D+00  0.115545D+01
      2  -0.430753D+01  0.948237D+00  0.130055D+01 -0.883703D+00 -0.301748D+01
      3  -0.342030D+01  0.173342D+01  0.183975D+01 -0.102564D+00 -0.168120D+01
               296           297           298           299           300 
      1  -0.333441D-01  0.106842D+02  0.230382D+00  0.953708D+00  0.634074D+00
      2   0.193173D+01 -0.683736D+01  0.137597D+01 -0.241190D+00  0.144372D+01
      3   0.196747D+01 -0.269643D+01 -0.108436D+01 -0.184413D+01 -0.687811D+00
               301           302           303           304           305 
      1   0.327721D+01  0.979727D+01  0.290113D+01  0.253342D+00  0.212407D+01
      2  -0.303855D+01  0.293526D+01  0.243344D+01  0.225656D+00  0.265775D+01
      3  -0.219199D+01 -0.132137D+02 -0.521922D+01 -0.114286D+01 -0.206744D+01
               306           307           308           309           310 
      1   0.152433D+01  0.198576D+01 -0.223083D+00  0.148523D+01  0.202395D+01
      2   0.266240D+01 -0.379593D+00 -0.131308D+00 -0.220385D+01  0.262503D+00
      3  -0.308305D+01 -0.273999D+01 -0.621522D+00 -0.103052D+01 -0.166913D+01
               311           312           313           314           315 
      1  -0.206409D+01  0.263663D+01 -0.107082D+01  0.303435D+01 -0.376874D+01
      2   0.220318D+01 -0.535764D+01 -0.365066D-01 -0.203928D+01  0.121232D+02
      3   0.210776D+01 -0.330460D+01  0.137799D+01 -0.218745D+01  0.271872D+01
               316           317           318           319           320 
      1  -0.659627D+00  0.464635D+01  0.658089D+00  0.102254D+01  0.461520D+01
      2  -0.475430D+01 -0.378083D+01 -0.164621D+01 -0.408405D+01 -0.538659D+01
      3   0.515228D+01  0.626487D+01  0.323846D+01  0.586977D+01  0.911523D+01
               321           322           323           324           325 
      1  -0.192177D+00 -0.268602D+00 -0.252209D+00 -0.833938D+00 -0.127760D+01
      2  -0.369652D+01 -0.216936D+01 -0.261720D+01 -0.294570D+01  0.439121D-01
      3   0.416333D+01  0.682693D+00  0.226014D+01  0.306550D+01 -0.845065D+00
               326           327           328           329           330 
      1  -0.165673D+01  0.216176D+01 -0.298366D+01 -0.260522D-01  0.581886D+01
      2  -0.420815D+00  0.982560D+00  0.149859D+01 -0.127609D+01  0.167955D+01
      3  -0.187787D+01  0.161950D+01 -0.292948D+01  0.154833D+01  0.304032D+01
               331           332           333 
      1   0.305766D+01  0.196363D+01 -0.112554D+02
      2  -0.105833D+01  0.463129D-01 -0.584327D+01
      3   0.252843D+01  0.523966D+00 -0.271226D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341732D+01 -0.386279D+01 -0.118633D-01 -0.490424D+00  0.490671D+01
      2  -0.455277D+01 -0.910991D+00  0.135720D+02  0.761081D-02 -0.118557D+02
      3   0.113545D+01  0.477378D+01 -0.135602D+02  0.482813D+00  0.694904D+01
      4  -0.904685D+01 -0.169638D+02  0.191355D+02 -0.879240D+01 -0.155391D+02
      5   0.742842D+01  0.148083D+02 -0.363318D+01  0.146071D+02  0.636626D+01
      6   0.105570D+02  0.185072D+02 -0.907507D+00  0.176523D+02  0.135588D+01
                 6             7             8             9            10 
      1   0.156487D+02 -0.390279D+01  0.163428D+02  0.737177D+01 -0.215596D+02
      2  -0.928596D+01  0.157145D+02 -0.102764D+02 -0.118532D+02  0.136736D+02
      3  -0.636270D+01 -0.118117D+02 -0.606648D+01  0.448139D+01  0.788599D+01
      4   0.156007D+02  0.219241D+02  0.209661D+02 -0.892636D+01 -0.147939D+02
      5  -0.869152D+01 -0.334519D+01 -0.109653D+02  0.212872D+01 -0.145348D+02
      6  -0.101089D+02 -0.268813D+01 -0.151511D+02  0.135308D+01 -0.104821D+02
                11            12            13            14            15 
      1  -0.101792D+01 -0.633212D+01 -0.619622D+01 -0.566793D+01 -0.214575D+02
      2   0.238239D+01 -0.338737D+01  0.329605D+01  0.547659D+01  0.100764D+02
      3  -0.136447D+01  0.971949D+01  0.290017D+01  0.191333D+00  0.113812D+02
      4  -0.527043D+01 -0.225247D+02 -0.128757D+02 -0.104538D+00 -0.727530D+01
      5  -0.202490D+02 -0.121350D+02 -0.210920D+02 -0.606742D+00  0.140377D+01
      6  -0.775328D+01 -0.638719D+01 -0.769510D+01  0.328940D+00 -0.165610D+01
                16            17            18            19            20 
      1  -0.895800D+01 -0.240058D+02 -0.150618D+02  0.778731D+01  0.305880D+01
      2  -0.243759D-01  0.142168D+02  0.105753D+02 -0.496933D+01 -0.697179D+01
      3   0.898238D+01  0.978896D+01  0.448657D+01 -0.281798D+01  0.391299D+01
      4  -0.275953D+02 -0.676943D+01 -0.275834D+01  0.185788D+02 -0.271723D+00
      5  -0.178120D+02  0.130283D+01 -0.185020D+01  0.952825D+01  0.119183D+02
      6  -0.699903D+01 -0.703090D+00 -0.168896D+01  0.398656D+01 -0.698733D+00
                21            22            23            24            25 
      1   0.294888D+01  0.549852D+01 -0.242188D+01  0.123566D+02 -0.134234D+01
      2  -0.164020D+01 -0.596991D+01  0.279587D+01 -0.204027D+01 -0.491294D-01
      3  -0.130868D+01  0.471385D+00 -0.373988D+00 -0.103163D+02  0.139147D+01
      4   0.140018D+02  0.448170D+01  0.821806D+01  0.852783D+00  0.696262D+01
      5   0.552822D+01  0.113098D+02 -0.438724D+01  0.155967D+01  0.278807D+01
      6   0.427156D+01 -0.178574D+01  0.139926D+01 -0.324265D+01  0.277961D+01
                26            27            28            29            30 
      1   0.105435D+02  0.774567D+01 -0.119588D+02 -0.646165D-01  0.436626D+01
      2  -0.279753D+01  0.138914D+01  0.176371D+01  0.564562D-01 -0.438825D+01
      3  -0.774595D+01 -0.913481D+01  0.101951D+02  0.816032D-02  0.219841D-01
      4  -0.496084D+00  0.152276D+00 -0.462673D-01 -0.682886D+01  0.177476D+01
      5  -0.544227D+00 -0.443067D+01  0.222294D+01  0.906044D+00 -0.115861D+01
      6  -0.245297D+01 -0.601485D+01  0.895005D+00 -0.225095D+01  0.391865D-01
                31            32            33            34            35 
      1  -0.657443D-01  0.175929D+01  0.174471D+01  0.728418D+01  0.288873D+01
      2   0.752007D-01 -0.119350D+02 -0.176479D+01 -0.728743D+01 -0.290352D+01
      3  -0.945642D-02  0.101757D+02  0.200804D-01  0.325313D-02  0.147854D-01
      4  -0.687890D+01 -0.208961D-01 -0.439905D+01  0.297279D+01 -0.726050D+01
      5   0.849620D+00 -0.225662D+01 -0.479831D-01  0.537518D+01 -0.352338D-01
      6  -0.224790D+01 -0.897334D+00 -0.115857D+01 -0.432961D-01  0.533533D+01
                36            37            38            39            40 
      1  -0.512126D+00  0.415408D+01 -0.256222D+01 -0.936071D+00 -0.608713D+01
      2  -0.542464D+00 -0.473389D+01  0.300696D+01 -0.934181D+01  0.309247D+01
      3   0.105459D+01  0.579802D+00 -0.444738D+00  0.102779D+02  0.299466D+01
      4  -0.258893D-01  0.896262D+01  0.953855D+01 -0.771021D+01  0.514122D+01
      5   0.191381D-01 -0.155229D+01 -0.256669D+01 -0.112930D+01 -0.378025D+01
      6   0.516281D-01 -0.214528D+01 -0.129895D+02  0.338446D+01 -0.133131D+02
                41            42            43            44            45 
      1   0.785861D+01 -0.578048D+01  0.115902D+01 -0.384082D+01  0.193880D+01
      2  -0.413842D+01  0.724611D+01 -0.824866D+01  0.722992D+01  0.721509D+01
      3  -0.372019D+01 -0.146564D+01  0.708964D+01 -0.338910D+01 -0.915389D+01
      4   0.159707D+02 -0.115623D+02 -0.440781D+01 -0.470637D+01  0.177026D+01
      5  -0.495615D+01  0.611208D+01 -0.149853D+01  0.394121D+01  0.695294D+01
      6  -0.133550D+01  0.344158D+01  0.662134D+00  0.186678D+01  0.267713D+01
                46            47            48            49            50 
      1   0.173841D+02  0.177457D+01  0.122146D+02 -0.282154D+01  0.588128D+00
      2  -0.158498D+02  0.245124D+01 -0.830654D+01  0.360958D+01  0.104150D+01
      3  -0.153434D+01 -0.422581D+01 -0.390809D+01 -0.788041D+00 -0.162963D+01
      4  -0.123615D+02 -0.372484D+01 -0.998649D+01  0.635546D-02 -0.913271D+01
      5   0.146457D+02 -0.646770D+01  0.640041D+01 -0.555870D+01 -0.836480D+01
      6   0.541132D+00 -0.289959D+01 -0.175487D+01 -0.380150D+01 -0.444674D+01
                51            52            53            54            55 
      1  -0.900073D+01  0.451008D+01 -0.857903D+01  0.740354D+01 -0.288810D+02
      2  -0.614604D+00 -0.387859D+01  0.745297D+00  0.173014D+01  0.211054D+02
      3   0.961534D+01 -0.631495D+00  0.783373D+01 -0.913368D+01  0.777553D+01
      4  -0.554190D+01 -0.523048D+01 -0.521326D+01  0.140716D+01  0.687466D+01
      5   0.987989D+00  0.299174D+01  0.195428D+01 -0.580302D+01 -0.264532D+02
      6  -0.413425D+01 -0.134347D+01 -0.264522D+01  0.467946D+01  0.710386D+01
                56            57            58            59            60 
      1  -0.292749D+01 -0.224944D+02  0.565747D+01 -0.267696D+01  0.178915D+02
      2  -0.426936D+00  0.101768D+02 -0.472889D+01  0.234111D+01 -0.933959D+01
      3   0.335443D+01  0.123176D+02 -0.928578D+00  0.335844D+00 -0.855189D+01
      4  -0.130010D+01  0.179100D+02 -0.641940D+01 -0.530574D+01  0.617293D+01
      5   0.147298D+02 -0.126454D+02  0.155519D+02  0.924763D+01 -0.428317D+01
      6  -0.367734D+00  0.348285D+01 -0.941090D-01 -0.112631D+01 -0.109624D+01
                61            62            63            64            65 
      1  -0.275366D+02  0.185016D+02 -0.147515D+02 -0.586704D+01  0.115067D+02
      2   0.163756D+02 -0.113186D+02  0.102831D+02  0.306052D+01 -0.565903D+01
      3   0.111609D+02 -0.718300D+01  0.446839D+01  0.280652D+01 -0.584765D+01
      4   0.202389D+02  0.894931D+01 -0.385644D+01  0.156917D+02 -0.145530D+02
      5  -0.181070D+02 -0.582986D+01 -0.225494D+01  0.188854D+02 -0.157636D+02
      6   0.244707D+01 -0.400548D+00  0.116739D+01 -0.145171D+02  0.102586D+02
                66            67            68            69            70 
      1   0.154253D+02  0.428099D+01  0.472778D+00 -0.184037D+02  0.141718D+02
      2  -0.687135D+00 -0.270616D+01 -0.577356D+01  0.156941D+02 -0.120135D+01
      3  -0.147382D+02 -0.157483D+01  0.530078D+01  0.270959D+01 -0.129704D+02
      4  -0.212403D+02 -0.808838D+01  0.118638D+02  0.213838D+01 -0.260979D+02
      5  -0.644949D+01 -0.153781D+02 -0.253313D+01  0.965773D+01 -0.748452D+01
      6   0.189071D+01  0.946724D+01  0.651498D+01 -0.732694D+01  0.468152D+01
                71            72            73            74            75 
      1  -0.220585D+02  0.173721D+01  0.833099D+01 -0.421813D+01 -0.780253D+01
      2   0.191898D+02 -0.621067D+01 -0.924516D+01  0.254632D+01 -0.177264D+01
      3   0.286867D+01  0.447346D+01  0.914167D+00  0.167181D+01  0.957517D+01
      4   0.525689D+01  0.124679D+02 -0.100062D+02  0.994324D+01  0.102514D+02
      5   0.129607D+02  0.240351D+01 -0.541183D+01  0.571837D+01  0.146687D+01
      6  -0.110351D+02 -0.770521D+00  0.742072D+01 -0.998509D+01 -0.389422D+01
                76            77            78            79            80 
      1   0.121192D+01  0.146054D+02  0.895234D+01 -0.290397D+01  0.487258D+01
      2   0.549742D+00 -0.104870D+02 -0.129891D+02 -0.309352D+01 -0.994425D+01
      3  -0.176166D+01 -0.411834D+01  0.403678D+01  0.599749D+01  0.507168D+01
      4   0.701060D+01 -0.660427D+01 -0.443558D+01  0.626526D+01  0.256224D+00
      5   0.699148D+01 -0.180017D+01 -0.661548D+01 -0.159356D+00 -0.448129D+01
      6  -0.999659D+01 -0.570911D+01  0.783051D+00 -0.117518D+01  0.482834D+00
                81            82            83            84            85 
      1   0.313130D+01 -0.383523D+01 -0.112642D+01  0.702534D+01 -0.386423D+01
      2   0.600060D+01  0.669254D+01  0.156551D+01  0.126484D+01  0.774185D+01
      3  -0.913190D+01 -0.285730D+01 -0.439098D+00 -0.829018D+01 -0.387762D+01
      4  -0.283272D+01 -0.883864D+01  0.183887D+00  0.754341D+01 -0.155955D+01
      5   0.741971D+01  0.818699D+01  0.173051D+01 -0.355583D+01  0.110648D+01
      6  -0.826531D+00  0.794345D+01 -0.159192D+01  0.369303D+01 -0.503165D+00
                86            87            88            89            90 
      1  -0.195915D+02  0.105059D+02  0.401324D+01  0.508667D+01  0.285454D+01
      2   0.198928D+02 -0.167647D+02  0.338004D+01 -0.775225D+01  0.630301D+01
      3  -0.301322D+00  0.625882D+01 -0.739328D+01  0.266557D+01 -0.915755D+01
      4  -0.129987D+01  0.145572D+01  0.723136D+01  0.492421D+00  0.267436D+01
      5  -0.607009D+01  0.978226D+00 -0.210607D+01  0.623719D-01 -0.299242D+01
      6  -0.150296D+02  0.584756D+01  0.336762D+01  0.243496D+01  0.684160D+01
                91            92            93            94            95 
      1  -0.133793D+01 -0.108895D+01 -0.306834D+00  0.492078D+01  0.218061D+02
      2  -0.102039D+00  0.293146D+00 -0.470009D+01 -0.100013D+02 -0.284465D+02
      3   0.143997D+01  0.795802D+00  0.500693D+01  0.508056D+01  0.664038D+01
      4  -0.702223D+01 -0.280444D+01 -0.136606D+02 -0.163906D+01 -0.558056D+01
      5  -0.315937D+01 -0.310440D+01 -0.211669D+01 -0.263381D+01  0.192774D+01
      6  -0.141144D+02 -0.370624D+01 -0.720447D+01 -0.299064D+01  0.322910D+02
                96            97            98            99           100 
      1  -0.175592D+02 -0.166825D+01 -0.239991D+02  0.656590D+01 -0.320541D+01
      2   0.316513D+02 -0.231645D+01  0.366630D+02 -0.110602D+02 -0.702681D-02
      3  -0.140921D+02  0.398471D+01 -0.126639D+02  0.449426D+01  0.321244D+01
      4  -0.367043D+01 -0.163597D+02 -0.205309D+01 -0.972601D+01  0.829795D+01
      5   0.603716D+00 -0.250540D+01 -0.183335D+01 -0.542715D+00 -0.733122D+01
      6  -0.116794D+02 -0.101403D+02 -0.160073D+02  0.242407D+01  0.112549D+02
               101           102           103           104           105 
      1  -0.262959D+01 -0.111704D+02 -0.815354D+01  0.142967D+02  0.137803D+02
      2   0.433201D+01  0.992695D+01  0.141466D+02 -0.191782D+02 -0.287065D+02
      3  -0.170242D+01  0.124346D+01 -0.599310D+01  0.488148D+01  0.149262D+02
      4  -0.441823D+01  0.102742D+02 -0.741865D+01  0.147208D+02  0.119172D+02
      5  -0.641717D+00 -0.435898D+01 -0.126912D+01  0.107792D+02  0.130654D+01
      6   0.825302D+01  0.911978D+01  0.882537D+01 -0.291483D+02 -0.938064D+01
               106           107           108           109           110 
      1  -0.147925D+02  0.178980D+02  0.640055D+00 -0.937824D+01  0.309245D+01
      2   0.141534D+02 -0.311491D+02 -0.511376D+01  0.131091D+02 -0.260409D+01
      3   0.639074D+00  0.132511D+02  0.447370D+01 -0.373089D+01 -0.488368D+00
      4   0.105940D+02  0.163572D+02  0.127972D+02  0.367191D+01  0.405330D+01
      5  -0.632043D+01  0.437226D+01  0.944639D-01  0.920218D+01  0.370500D+01
      6   0.126852D+02 -0.121653D+02 -0.247666D+01 -0.371241D+01 -0.637981D+01
               111           112           113           114           115 
      1   0.124028D+02  0.613091D+01 -0.158920D+02 -0.649324D+01  0.842668D+01
      2  -0.600061D+01 -0.908889D+01  0.152944D+02  0.146991D+02 -0.194634D+01
      3  -0.640221D+01  0.295798D+01  0.597564D+00 -0.820586D+01 -0.648033D+01
      4  -0.359502D+01  0.472280D+01 -0.713424D+01 -0.656398D+01 -0.522129D+01
      5  -0.178727D+01  0.405342D+01 -0.896438D+01 -0.297758D+01 -0.935930D+00
      6  -0.573270D+01 -0.515910D+01  0.111207D+02  0.410402D+01 -0.423963D+01
               116           117           118           119           120 
      1  -0.240483D+01  0.439092D+01 -0.398042D+01 -0.722650D+01  0.180814D+01
      2   0.687303D+01  0.475611D+01  0.499642D+01  0.660760D+01 -0.303857D+01
      3  -0.446820D+01 -0.914703D+01 -0.101600D+01  0.618902D+00  0.123043D+01
      4  -0.417818D+01 -0.314654D+01 -0.248174D+01  0.404860D+01  0.872487D-01
      5  -0.919341D+00 -0.113195D+01  0.529067D+00  0.139274D+01  0.743218D+00
      6   0.131561D+01 -0.739635D+01 -0.195754D+01 -0.223047D+01  0.130386D+01
               121           122           123           124           125 
      1  -0.571796D+01 -0.154272D+02  0.669209D+01  0.365832D+01  0.112759D+02
      2   0.135219D+01  0.287718D+02 -0.991670D+01 -0.162706D+01 -0.153267D+02
      3   0.436577D+01 -0.133446D+02  0.322461D+01 -0.203125D+01  0.405083D+01
      4   0.872993D+01 -0.208664D+02  0.543654D+01 -0.238579D+01  0.107120D+02
      5   0.134603D+00  0.668390D+01 -0.647593D+01  0.315396D+01 -0.914748D+01
      6  -0.661996D+00 -0.106930D+02  0.904904D+01 -0.137591D+01  0.125827D+02
               126           127           128           129           130 
      1  -0.644629D+01  0.359847D+02 -0.144872D+02 -0.115155D+02 -0.755963D+01
      2   0.773975D+01 -0.143616D+02  0.148974D+01  0.467085D+01 -0.369744D+01
      3  -0.129346D+01 -0.216231D+02  0.129975D+02  0.684468D+01  0.112571D+02
      4  -0.765429D+01 -0.352577D+02  0.244423D+02  0.147560D+02  0.234661D+02
      5   0.934255D+01 -0.212678D+02  0.120040D+02  0.145314D+02  0.960823D+01
      6  -0.114970D+02  0.111871D+02 -0.720552D+01 -0.732637D+01 -0.799265D+01
               131           132           133           134           135 
      1   0.477024D+01  0.287435D+01 -0.145094D+02  0.695322D+01  0.687916D+01
      2   0.716066D+01  0.114745D+01  0.667463D+01 -0.171386D+01 -0.414904D+01
      3  -0.119309D+02 -0.402180D+01  0.783476D+01 -0.523936D+01 -0.273012D+01
      4  -0.246633D+02 -0.108774D+02  0.212532D+02 -0.168304D+02 -0.164360D+02
      5  -0.955823D+01 -0.768288D+01  0.203604D+02 -0.139859D+02 -0.187228D+02
      6   0.777531D+01  0.793453D+01 -0.117443D+02  0.115889D+02  0.121374D+02
               136           137           138           139           140 
      1   0.230220D+02  0.900721D+01 -0.454017D+01  0.155700D+02  0.768161D+01
      2  -0.133225D+02 -0.473357D+01  0.312200D+01 -0.755744D+01 -0.304578D+01
      3  -0.969944D+01 -0.427364D+01  0.141817D+01 -0.801254D+01 -0.463582D+01
      4   0.799610D+01  0.709822D+01 -0.416029D+01  0.104348D+02  0.183918D+02
      5  -0.550634D+01 -0.428311D+01  0.752041D+01 -0.626139D+01 -0.854532D+01
      6  -0.142666D+01 -0.789346D+00  0.239283D+00 -0.994138D+00 -0.235445D+01
               141           142           143           144           145 
      1  -0.551211D+01 -0.114800D+02 -0.664495D+01  0.836293D+01  0.681524D+02
      2   0.237290D+01  0.718209D+01  0.523681D+01 -0.706839D+01 -0.392936D+02
      3   0.313922D+01  0.429787D+01  0.140815D+01 -0.129454D+01 -0.288588D+02
      4  -0.752809D+01 -0.750213D+01 -0.111883D+02  0.702213D+01 -0.172955D+02
      5   0.801061D+01  0.131654D+02  0.854955D+01 -0.147289D+02  0.305601D+02
      6   0.227110D+01  0.773991D+00  0.255846D+01 -0.145893D+01 -0.656825D+01
               146           147           148           149           150 
      1  -0.696402D+01  0.219056D+02 -0.876151D+01  0.833031D+01 -0.379023D+01
      2   0.288683D+01 -0.142313D+02  0.294198D+01 -0.364160D+01  0.176153D+01
      3   0.407719D+01 -0.767425D+01  0.581953D+01 -0.468871D+01  0.202869D+01
      4   0.102419D+02 -0.646671D+01  0.163017D+02 -0.719632D+01  0.516064D+01
      5  -0.488100D+01  0.187159D+02 -0.600916D+01  0.462362D+01 -0.318129D+01
      6   0.184864D+01 -0.354137D+01  0.410374D+01 -0.197103D+01  0.375574D+01
               151           152           153           154           155 
      1   0.314372D+02 -0.413551D+01  0.177509D+02  0.585312D+01 -0.410557D+01
      2  -0.222059D+02  0.226334D+01 -0.150261D+02  0.222685D+01  0.125450D+02
      3  -0.923130D+01  0.187216D+01 -0.272482D+01 -0.807997D+01 -0.843947D+01
      4  -0.107589D+02  0.449424D+01 -0.565076D+01  0.245514D+02  0.125307D+02
      5   0.288002D+02 -0.336989D+01  0.218065D+02  0.555680D+01  0.187477D+01
      6  -0.561706D+01  0.314527D+01 -0.475026D+01  0.991509D+01  0.444425D+01
               156           157           158           159           160 
      1   0.179082D+01 -0.361587D+01 -0.560474D+01 -0.997659D+00  0.665894D+00
      2   0.161135D+01  0.831809D+01  0.118403D+02  0.155424D+01  0.181442D+01
      3  -0.340217D+01 -0.470222D+01 -0.623557D+01 -0.556585D+00 -0.248031D+01
      4   0.965943D+01  0.727926D+01  0.100627D+02  0.310381D+01  0.151703D+02
      5   0.474059D+01  0.115112D+01  0.180376D+01  0.100431D+01  0.567059D+01
      6   0.878079D+01  0.257203D+01  0.268442D+01  0.507061D+01  0.106110D+02
               161           162           163           164           165 
      1  -0.237428D+01 -0.244425D+01 -0.431419D+01  0.481797D+00  0.980626D-01
      2   0.616566D+01  0.372649D+01  0.816587D+01  0.537531D+00 -0.168981D+00
      3  -0.379138D+01 -0.128224D+01 -0.385168D+01 -0.101933D+01  0.709180D-01
      4   0.748746D+01  0.998149D+01  0.235471D+01  0.138164D+02 -0.388198D+01
      5   0.283017D+01  0.530298D+01 -0.218966D+00 -0.278426D+01  0.308677D+01
      6   0.100780D+02  0.138765D+02 -0.373571D+01 -0.636653D+00  0.109728D+01
               166           167           168           169           170 
      1  -0.252099D+01 -0.427760D+02  0.155212D+02  0.234890D+01  0.241792D+02
      2   0.527719D+01  0.724643D+02 -0.234550D+02 -0.297571D+01 -0.335780D+02
      3  -0.275620D+01 -0.296883D+02  0.793382D+01  0.626813D+00  0.939882D+01
      4   0.906350D+01  0.692814D+01 -0.268549D+01 -0.331935D+01 -0.361757D+01
      5  -0.905530D+00 -0.817770D+00  0.727169D+00  0.264244D+01  0.153107D+01
      6  -0.230850D+01 -0.324298D+02  0.193739D+02  0.378292D+01  0.292877D+02
               171           172           173           174           175 
      1  -0.156137D+02  0.175224D+02  0.136864D+01  0.649289D+01  0.375087D+01
      2   0.183433D+02 -0.634262D+01 -0.850100D+01 -0.306749D+01 -0.714464D+01
      3  -0.272961D+01 -0.111797D+02  0.713235D+01 -0.342540D+01  0.339377D+01
      4   0.347103D+01 -0.259491D+02  0.116058D+02 -0.892340D+01  0.585872D+01
      5  -0.116242D+01  0.869137D+01 -0.128047D+01  0.716609D+01 -0.113046D+00
      6  -0.222628D+02 -0.925636D+01  0.193489D+01 -0.822666D+01  0.327548D+00
               176           177           178           179           180 
      1   0.682749D+00  0.997935D+00  0.840162D+01  0.298831D+00  0.287162D+01
      2   0.241845D+01 -0.662325D+00 -0.504513D+01 -0.333275D+01 -0.158953D+01
      3  -0.310120D+01 -0.335610D+00 -0.335648D+01  0.303392D+01 -0.128209D+01
      4  -0.752312D+01  0.110257D+01 -0.152240D+02  0.490579D+01 -0.101994D+02
      5   0.163734D+01 -0.445975D+00  0.926198D+01 -0.303170D+01  0.865769D+01
      6  -0.105135D+01  0.262844D+01 -0.108216D+02  0.647747D+01 -0.120751D+02
               181           182           183           184           185 
      1  -0.187185D+01  0.630690D+00  0.120764D+01  0.546290D+01 -0.324123D+02
      2   0.832806D+01 -0.777007D+01 -0.329527D+01 -0.143383D+02  0.595316D+02
      3  -0.645621D+01  0.713938D+01  0.208762D+01  0.887538D+01 -0.271193D+02
      4  -0.123869D+02  0.178346D+02  0.636156D+01  0.155990D+02 -0.271242D+02
      5  -0.273163D+01  0.451217D+01  0.458508D+01  0.311869D+01 -0.746303D+01
      6   0.580730D+01 -0.657844D+01 -0.498738D+01 -0.866369D+01  0.288929D+02
               186           187           188           189           190 
      1  -0.117579D+02  0.510686D+01 -0.179475D+02 -0.117017D+02  0.315832D+02
      2   0.194158D+02 -0.810433D+01  0.268835D+02  0.144349D+02 -0.191984D+02
      3  -0.765785D+01  0.299747D+01 -0.893600D+01 -0.273324D+01 -0.123848D+02
      4  -0.106540D+02  0.847152D+01 -0.157122D+02 -0.113649D+02 -0.524102D+00
      5  -0.461121D+01  0.566843D+01 -0.773451D+01 -0.677775D+01 -0.852408D+01
      6   0.178568D+02 -0.998517D+01  0.262387D+02  0.212143D+02 -0.254368D+00
               191           192           193           194           195 
      1  -0.747062D+01 -0.811575D+01 -0.150882D+02  0.897369D+01  0.686898D+01
      2   0.524938D+01  0.593515D+01  0.911897D+01 -0.704197D+01 -0.419623D+01
      3   0.222124D+01  0.218060D+01  0.596919D+01 -0.193172D+01 -0.267275D+01
      4   0.618094D+01  0.284569D+01  0.675453D+01 -0.108775D+02 -0.404124D+01
      5   0.442791D+01  0.920219D+01  0.640044D+01 -0.606038D+01 -0.619879D+01
      6   0.227336D+00  0.157644D+01  0.529853D+00  0.336210D+00  0.586516D+00
               196           197           198           199           200 
      1  -0.164180D+02  0.744060D+01  0.108136D+02  0.492962D+02  0.131705D+02
      2   0.118932D+02 -0.718572D+01 -0.952307D+01 -0.244183D+02 -0.379737D+01
      3   0.452482D+01 -0.254878D+00 -0.129052D+01 -0.248778D+02 -0.937309D+01
      4   0.358990D+01 -0.613796D+01 -0.233929D+01  0.323900D+02  0.174184D+02
      5   0.147736D+02 -0.535945D+01 -0.146568D+02  0.241318D+02  0.953710D+01
      6   0.242421D+01  0.958248D+00 -0.233922D+01  0.113015D+02  0.518410D+01
               201           202           203           204           205 
      1   0.156368D+02  0.118574D+02  0.748180D+01  0.502110D+01  0.215672D+02
      2  -0.872564D+01 -0.752324D+00  0.118818D+01 -0.111796D+01 -0.131118D+02
      3  -0.691112D+01 -0.111050D+02 -0.866998D+01 -0.390314D+01 -0.845538D+01
      4   0.125391D+02  0.231364D+02  0.182378D+02  0.933748D+01  0.204120D+02
      5   0.160960D+02  0.100395D+02  0.771915D+01  0.640857D+01  0.249354D+02
      6   0.677752D+01  0.764425D+01  0.587284D+01  0.636325D+01  0.113283D+02
               206           207           208           209           210 
      1   0.722874D+01  0.128609D+02 -0.707644D+01  0.846920D+01  0.359265D+01
      2  -0.307255D+01 -0.101337D+02  0.765461D+01 -0.112046D+02 -0.559488D+01
      3  -0.415619D+01 -0.272719D+01 -0.578171D+00  0.273541D+01  0.200224D+01
      4   0.110295D+02  0.129638D+02 -0.356702D+01  0.404617D+01  0.918141D+00
      5   0.908494D+01  0.198715D+02  0.443260D+00 -0.164842D+01  0.117558D-01
      6   0.699986D+01  0.101203D+02  0.345960D+01 -0.475118D+01 -0.367268D+01
               211           212           213           214           215 
      1   0.509415D+01 -0.203467D+02 -0.764154D+01  0.583964D+01 -0.138010D+02
      2  -0.409157D+01  0.340968D+02  0.104412D+02 -0.489855D+01  0.182295D+02
      3  -0.100258D+01 -0.137501D+02 -0.279967D+01 -0.941088D+00 -0.442853D+01
      4   0.644545D+01  0.108239D+02  0.926409D+00  0.255582D+01  0.357336D+01
      5  -0.832582D+00  0.333194D+01  0.410728D+01  0.118511D+01  0.617198D+01
      6  -0.291841D+01  0.106237D+02  0.979292D+01 -0.160250D+01  0.145657D+02
               216           217           218           219           220 
      1  -0.929533D+01  0.146304D+02  0.717315D+01 -0.377019D+01  0.150583D+01
      2   0.105907D+02  0.402759D+00  0.664127D+01 -0.182486D+01  0.105637D+02
      3  -0.129542D+01 -0.150332D+02 -0.138144D+02  0.559505D+01 -0.120695D+02
      4   0.320227D+01  0.301959D+02  0.276597D+02 -0.137642D+02  0.238236D+02
      5   0.612299D+01 -0.128659D+02 -0.112501D+02  0.104203D+02 -0.873357D+01
      6   0.135042D+02 -0.108611D+02 -0.102582D+02  0.798100D+01 -0.104090D+02
               221           222           223           224           225 
      1  -0.641992D+01  0.167943D+01 -0.309146D+01  0.113025D+01 -0.191653D+01
      2   0.249297D+02 -0.730727D+01 -0.315543D+01 -0.818813D+01  0.464562D+01
      3  -0.185098D+02  0.562783D+01  0.624689D+01  0.705787D+01 -0.272909D+01
      4   0.337756D+02 -0.138502D+02 -0.186729D+02 -0.222617D+02  0.170250D+02
      5  -0.121323D+02  0.833816D+01  0.134661D+02  0.144839D+02 -0.150251D+02
      6  -0.153152D+02  0.120526D+02  0.122345D+02  0.184795D+02 -0.164971D+02
               226           227           228           229           230 
      1  -0.597187D+01  0.976605D+01 -0.724679D+01  0.640576D+01 -0.141397D+02
      2   0.510765D+01 -0.933369D+01  0.450665D+01 -0.526283D+01  0.180768D+02
      3   0.864227D+00 -0.432351D+00  0.274015D+01 -0.114293D+01 -0.393709D+01
      4  -0.101315D+02  0.287835D+01 -0.244598D+01  0.733645D+01 -0.458558D+01
      5   0.336130D+01 -0.229491D+01  0.154376D+01 -0.161786D+01  0.213826D+01
      6  -0.468132D+01  0.121431D+02 -0.880090D+01  0.562150D+01 -0.135969D+02
               231           232           233           234           235 
      1   0.818238D+01 -0.278193D+01  0.577090D+01 -0.749943D+01  0.161771D+01
      2  -0.681418D+01  0.149082D+01 -0.242591D+01  0.143324D+01 -0.508577D+01
      3  -0.136820D+01  0.129111D+01 -0.334499D+01  0.606620D+01  0.346806D+01
      4   0.345300D+01 -0.136991D+01  0.394590D+01 -0.326337D+01  0.279951D+01
      5  -0.463711D+00  0.206023D+01 -0.107246D+01  0.308744D+00 -0.634781D+01
      6   0.978741D+01 -0.441183D+01  0.754926D+01 -0.906703D+01 -0.220210D+01
               236           237           238           239           240 
      1   0.274824D+00 -0.591898D+00 -0.323121D+00 -0.159392D+00 -0.134272D+01
      2   0.722785D+00  0.713000D+01  0.154564D+01 -0.373705D+01 -0.623711D+01
      3  -0.997609D+00 -0.653811D+01 -0.122252D+01  0.389644D+01  0.757984D+01
      4   0.258965D+01 -0.155018D+01 -0.219136D+01 -0.594854D+01  0.817734D+00
      5  -0.392629D+00  0.942539D+01  0.230022D+01 -0.131581D+00 -0.469257D+01
      6  -0.206414D+00  0.327450D+01  0.192262D+01  0.257587D+01 -0.415071D+00
               241           242           243           244           245 
      1   0.504692D+00  0.232506D+01 -0.112469D+02  0.106210D+02 -0.383117D+01
      2   0.525319D+01 -0.260053D+01 -0.183524D+02 -0.662865D+01  0.364329D+01
      3  -0.575788D+01  0.275471D+00  0.295993D+02 -0.399231D+01  0.187883D+00
      4  -0.339301D+01 -0.308488D+01  0.317274D+00 -0.784852D+01  0.827565D+01
      5   0.718357D+01  0.813438D+00 -0.162795D+02  0.781968D+01 -0.613768D+01
      6   0.277028D+01  0.476856D+01 -0.136621D+02 -0.341429D+01  0.274224D+01
               246           247           248           249           250 
      1   0.321901D+01 -0.966029D+01  0.198906D+01 -0.340218D+01 -0.286652D+00
      2  -0.382059D+01  0.876335D+01 -0.291878D+01  0.640913D+01 -0.259717D+01
      3   0.601574D+00  0.896942D+00  0.929714D+00 -0.300695D+01  0.288382D+01
      4  -0.519978D+01  0.632287D+01 -0.158354D+02  0.670577D+01 -0.469304D+01
      5   0.686155D+01 -0.122515D+02  0.834254D+01 -0.102510D+02  0.576313D+01
      6  -0.191731D+01  0.513016D+01 -0.673061D+01  0.447906D+01 -0.208293D+01
               251           252           253           254           255 
      1  -0.419242D+00 -0.861363D+00 -0.569066D+01  0.987569D+00  0.375234D+01
      2   0.254796D+01 -0.521046D+01  0.239249D+01  0.185047D+00  0.183133D+01
      3  -0.212872D+01  0.607182D+01  0.329817D+01 -0.117262D+01 -0.558367D+01
      4   0.363489D+01 -0.507781D+01 -0.368996D+01 -0.223775D+00 -0.101089D+01
      5  -0.542194D+01  0.865986D+01 -0.256637D+01 -0.715032D+00 -0.837400D-01
      6   0.384310D+01 -0.269843D+01  0.783411D+00 -0.404586D+00 -0.207550D+01
               256           257           258           259           260 
      1   0.269766D+01 -0.402252D+01 -0.704178D+01  0.283651D+01 -0.409164D+01
      2  -0.174673D+01 -0.490880D-01 -0.127153D+01 -0.410774D+01 -0.155126D+01
      3  -0.950927D+00  0.407161D+01  0.831332D+01  0.127123D+01  0.564290D+01
      4   0.426962D+01  0.361722D+01  0.370571D+01  0.243198D+01  0.360431D+01
      5   0.205546D+01  0.392284D+01  0.589893D+01  0.586057D+01  0.315374D+01
      6   0.163166D+01  0.556898D+01  0.912273D+01  0.119356D+01  0.611564D+01
               261           262           263           264           265 
      1  -0.177082D+02  0.201148D+02  0.353269D+01 -0.708501D+01  0.188688D+01
      2  -0.119186D+02 -0.180439D+02 -0.635213D+01  0.963634D+01 -0.399642D+01
      3   0.296269D+02 -0.207091D+01  0.281944D+01 -0.255133D+01  0.210954D+01
      4   0.210277D+01 -0.121975D+02  0.583544D+01  0.604672D+01  0.391573D+00
      5   0.174915D+02 -0.185667D+02  0.172823D+01  0.117261D+02 -0.425794D+01
      6   0.121104D+02  0.592437D+01 -0.234552D+01 -0.541424D+01  0.316762D+00
               266           267           268           269           270 
      1   0.502231D+01 -0.165486D+00 -0.409540D+01  0.506799D+00  0.202104D+01
      2  -0.400359D+01  0.185387D+01  0.763075D+01 -0.106004D+01 -0.807833D+01
      3  -0.101872D+01 -0.168839D+01 -0.353535D+01  0.553237D+00  0.605729D+01
      4   0.865139D+00  0.964893D+00  0.192808D+01  0.221472D+00 -0.222381D+01
      5  -0.753915D-03  0.291438D+01  0.853930D+01  0.672391D+00 -0.799860D+01
      6  -0.157515D+01 -0.401371D+00 -0.266504D+01  0.105723D+01  0.424787D+01
               271           272           273           274           275 
      1  -0.300982D+00 -0.617570D+01 -0.821519D+01 -0.157062D+01 -0.323061D+01
      2  -0.443853D+01  0.569562D+01 -0.159812D+01  0.131051D+01  0.611166D+00
      3   0.473951D+01  0.480080D+00  0.981331D+01  0.260106D+00  0.261945D+01
      4   0.428832D+01 -0.189185D+01  0.275163D+01 -0.117622D+00  0.173620D+01
      5   0.180443D+01 -0.832299D+00  0.264857D+01 -0.334308D+00  0.174978D+01
      6   0.184608D+01  0.568574D+01  0.860087D+01  0.229199D+01  0.358385D+01
               276           277           278           279           280 
      1  -0.282403D+01 -0.235866D+01 -0.673248D+01 -0.168858D+02  0.130512D+02
      2   0.929626D+00 -0.744701D+00  0.186383D+01 -0.127450D+02 -0.122621D+02
      3   0.189441D+01  0.310336D+01  0.486864D+01  0.296308D+02 -0.789181D+00
      4   0.136715D+01  0.335548D+01 -0.153767D+01  0.290395D+01  0.184208D+02
      5   0.629622D+00  0.382268D+01 -0.843615D+00 -0.372611D+01 -0.161411D+02
      6   0.637812D+01  0.111552D+01  0.815699D+01  0.209598D+02 -0.935019D+01
               281           282           283           284           285 
      1  -0.360393D+01 -0.282677D+01  0.463648D+00  0.344816D+01 -0.118878D+01
      2   0.636867D+01  0.571490D+01  0.158854D+01 -0.114950D+01  0.204176D+00
      3  -0.276474D+01 -0.288813D+01 -0.205219D+01 -0.229866D+01  0.984607D+00
      4   0.710896D+01 -0.940614D+01  0.334342D+01  0.304738D+01 -0.109403D+01
      5  -0.520967D+01  0.103341D+02 -0.926280D-01 -0.717081D+00 -0.897249D-01
      6  -0.556647D+01  0.822656D+01 -0.147209D+01  0.416607D+00  0.999624D+00
               286           287           288           289           290 
      1  -0.218630D+01 -0.110253D+01  0.280809D+00 -0.621256D+00  0.671123D+01
      2   0.546167D+01  0.253840D+01 -0.632959D+01 -0.417271D+01 -0.679643D+01
      3  -0.327537D+01 -0.143587D+01  0.604878D+01  0.479396D+01  0.852015D-01
      4  -0.435604D+01 -0.134464D+01  0.442137D+01 -0.317083D+01  0.107456D+01
      5   0.756728D+01  0.104070D+01 -0.665855D+01  0.245184D+01 -0.682178D+00
      6   0.437682D+01  0.203374D+01 -0.614213D+01 -0.340652D+01  0.560636D+01
               291           292           293           294           295 
      1  -0.671718D+01  0.182596D+01 -0.154685D-02  0.190866D+00 -0.235477D+01
      2  -0.326437D+01 -0.214077D+01 -0.257000D+01 -0.878940D+00 -0.188376D+01
      3   0.998155D+01  0.314804D+00  0.257154D+01  0.688074D+00  0.423852D+01
      4  -0.443399D+01  0.397606D+00 -0.200908D+01  0.101200D+01 -0.341104D+01
      5   0.515400D+01 -0.300515D+00  0.234933D+01 -0.947989D+00  0.416274D+01
      6  -0.890607D+01  0.220041D+01 -0.930040D+00  0.386264D+01 -0.216801D+01
               296           297           298           299           300 
      1   0.652942D+01 -0.151832D+02  0.374418D+01  0.188688D+01  0.335885D+00
      2  -0.261736D+01 -0.144387D+02 -0.339966D+00 -0.564662D+00 -0.154461D+00
      3  -0.391206D+01  0.296218D+02 -0.340422D+01 -0.132222D+01 -0.181425D+00
      4  -0.103336D+00 -0.355162D+01  0.663504D+01  0.684746D+01  0.395644D+01
      5  -0.215765D+00  0.172294D+01  0.279291D+01  0.430727D+01  0.371725D+01
      6   0.779764D+01 -0.211938D+02  0.248440D+01  0.260400D+01  0.170978D+01
               301           302           303           304           305 
      1   0.793670D+01 -0.423483D+01 -0.460318D+00 -0.225492D+01 -0.219838D+01
      2  -0.591570D+01  0.387220D+01 -0.261551D+01  0.592860D-02 -0.603473D+00
      3  -0.202100D+01  0.362628D+00  0.307582D+01  0.224899D+01  0.280185D+01
      4   0.783369D+01  0.194141D+02  0.957061D+01  0.351650D+01  0.495949D+01
      5   0.961077D+01  0.102534D+02  0.100573D+02  0.379638D+01  0.541604D+01
      6   0.645358D+01  0.114252D+02  0.763775D+01  0.207346D+01  0.582294D+01
               306           307           308           309           310 
      1  -0.364817D+01 -0.534417D+01 -0.171134D+01  0.177933D+01 -0.539014D+01
      2  -0.243696D+01  0.252376D+01  0.865808D+00  0.148619D+01  0.476623D+01
      3   0.608513D+01  0.282041D+01  0.845528D+00 -0.326552D+01  0.623910D+00
      4   0.549497D+01  0.330387D+00  0.778169D+00  0.118198D+00  0.379287D+01
      5   0.770082D+01 -0.140767D+01 -0.948609D+00  0.143989D+01 -0.414104D+01
      6   0.481591D+01 -0.181378D+01  0.468466D+00  0.674067D-01  0.173435D+01
               311           312           313           314           315 
      1  -0.362801D+01  0.549636D+01  0.292830D+01  0.300368D+01 -0.163033D+02
      2  -0.916129D+00  0.396905D+01 -0.558398D+01  0.214006D+01 -0.133038D+02
      3   0.454414D+01 -0.946541D+01  0.265568D+01 -0.514374D+01  0.296071D+02
      4  -0.323409D+01  0.483532D+01 -0.137694D+01  0.353858D+01 -0.325593D+01
      5   0.433067D+01 -0.791509D+01  0.693923D+01 -0.293672D+01  0.199753D+02
      6  -0.400699D+01  0.759902D+01 -0.967268D+00  0.503782D+01 -0.728949D+01
               316           317           318           319           320 
      1  -0.578002D+01 -0.771749D+01 -0.517218D+01 -0.701857D+01 -0.187545D+02
      2   0.560891D+01  0.620539D+01  0.286746D+01  0.479783D+01  0.219740D+02
      3   0.171116D+00  0.151211D+01  0.230473D+01  0.222074D+01 -0.321952D+01
      4   0.514141D+01  0.209800D+00 -0.558013D+00  0.589799D+01 -0.294155D+01
      5   0.203309D+01  0.362632D-01 -0.185975D+00  0.102584D+01 -0.134477D+01
      6   0.145707D+01  0.911234D+01  0.618141D+01  0.263133D+01  0.176338D+02
               321           322           323           324           325 
      1  -0.105852D+02 -0.124503D+01 -0.775861D+01 -0.853605D+01  0.226482D+01
      2   0.855672D+01  0.844917D+00  0.419223D+01  0.245578D+01 -0.522207D+01
      3   0.202849D+01  0.400109D+00  0.356638D+01  0.608027D+01  0.295725D+01
      4  -0.851359D+00 -0.217535D+00  0.142216D+01  0.647746D+00 -0.568776D+00
      5  -0.216543D+01  0.107433D+01 -0.631789D+00 -0.200192D+01 -0.568841D+01
      6   0.115542D+02  0.271096D+01  0.855271D+01  0.886566D+01  0.309656D-01
               326           327           328           329           330 
      1  -0.105786D+00 -0.115156D+01  0.274969D+01 -0.300826D+01  0.997661D+00
      2  -0.649372D+00  0.555643D+01 -0.372862D+01 -0.140462D+01  0.800065D+01
      3   0.755159D+00 -0.440487D+01  0.978932D+00  0.441289D+01 -0.899831D+01
      4   0.624688D+00 -0.408472D+00 -0.319309D+01  0.585029D+01 -0.607106D+00
      5  -0.119949D+01  0.847406D+01 -0.435156D+01 -0.496849D+00  0.703126D+01
      6   0.575353D+00 -0.948833D+00  0.195068D+01 -0.204921D+01  0.568285D+00
               331           332           333 
      1  -0.693159D+00 -0.684768D+00 -0.115385D+02
      2   0.621196D+01  0.241617D+01 -0.180722D+02
      3  -0.551880D+01 -0.173140D+01  0.296107D+02
      4   0.271940D+01 -0.331176D+01  0.146658D+01
      5   0.793391D+01  0.148454D-01 -0.192374D+02
      6  -0.195151D+01  0.404338D+01  0.906442D+01
 Leave Link  716 at Thu Jul  8 21:39:27 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158668D+03 -0.344078D-02 -0.515698D-04
      2  -0.344078D-02  0.158614D+03  0.377242D-02
      3  -0.515698D-04  0.377242D-02  0.122300D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.367711D+01 -0.275461D-01 -0.147874D-01
      2   0.644137D-03  0.364581D+01 -0.433433D-02
      3   0.449568D-01  0.469878D-02 -0.628937D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.344712D+02 -0.851229D+02 -0.775080D-02
      2  -0.345030D+02  0.851400D+02  0.981721D-02
      3   0.317852D-01 -0.171615D-01 -0.206641D-02
      4  -0.850937D+02 -0.345271D+02  0.420269D-02
      5  -0.110525D-01  0.634933D+01  0.165766D-01
      6  -0.633570D+01  0.880720D-03 -0.129690D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.930105D+00  0.235216D+01 -0.180011D+01  0.846414D+00  0.112593D+01
      2   0.235216D+01  0.260956D+01 -0.367989D+01  0.112593D+01  0.361829D+01
      3  -0.180011D+01 -0.367989D+01 -0.115567D+00 -0.365846D+01 -0.613194D+00
                 6             7             8             9            10 
      1  -0.365846D+01 -0.205426D+01 -0.489176D+01  0.401293D+00  0.484129D+01
      2  -0.613194D+00 -0.489176D+01 -0.141469D+01  0.288304D+01  0.683042D+00
      3   0.180041D+01  0.401293D+00  0.288304D+01 -0.327900D+00  0.257300D+01
                11            12            13            14            15 
      1   0.683042D+00  0.257300D+01  0.249425D+01  0.146865D+01  0.346264D+01
      2   0.416276D+00  0.345045D+01  0.146865D+01 -0.270182D+00 -0.159518D+00
      3   0.345045D+01  0.171254D+01  0.346264D+01 -0.159518D+00 -0.585374D+00
                16            17            18            19            20 
      1   0.395423D+01  0.436801D+01  0.289053D+01 -0.101960D+02 -0.215800D+01
      2   0.436801D+01 -0.494309D+00 -0.376937D+00 -0.215800D+01  0.373116D+00
      3   0.289053D+01 -0.376937D+00  0.325943D+00 -0.436196D+01 -0.242048D+01
                21            22            23            24            25 
      1  -0.436196D+01 -0.475302D+01 -0.696855D+00 -0.298982D+01 -0.299271D+01
      2  -0.242048D+01 -0.696855D+00 -0.153738D+01  0.512044D-01 -0.145538D+01
      3  -0.179622D+01 -0.298982D+01  0.512044D-01  0.285386D+00 -0.209911D+01
                26            27            28            29            30 
      1  -0.145538D+01 -0.209911D+01 -0.677205D+00  0.170357D+01  0.870247D-02
      2   0.121343D+00  0.102134D+01  0.170357D+01  0.706709D+00 -0.171669D+01
      3   0.102134D+01  0.900274D+00  0.870247D-02 -0.171669D+01 -0.119612D-02
                31            32            33            34            35 
      1   0.170847D+01  0.712555D+00  0.173182D+01 -0.218217D-01 -0.228076D-02
      2   0.712555D+00 -0.172317D+01 -0.310356D-02 -0.228076D-02 -0.171285D-01
      3   0.173182D+01 -0.310356D-02 -0.487579D-02 -0.835279D-03 -0.325128D-03
                36            37            38            39            40 
      1  -0.835279D-03 -0.241604D+01 -0.256015D+01  0.163385D+01 -0.860441D+00
      2  -0.325128D-03 -0.256015D+01 -0.622737D+01  0.373023D+01 -0.401123D+01
      3   0.832508D-02  0.163385D+01  0.373023D+01 -0.196636D+00  0.316446D+01
                41            42            43            44            45 
      1  -0.401123D+01  0.316446D+01  0.863293D+00  0.205726D+01  0.428126D+00
      2  -0.694982D+01  0.266420D+01  0.205726D+01  0.204700D+01 -0.228943D+01
      3   0.266420D+01 -0.179937D+01  0.428126D+00 -0.228943D+01 -0.901282D+00
                46            47            48            49            50 
      1   0.114555D+02  0.738434D+00  0.540363D+01 -0.201459D+01 -0.925727D-03
      2   0.738434D+00 -0.370946D+00 -0.991706D+00 -0.925727D-03 -0.153337D+01
      3   0.540363D+01 -0.991706D+00  0.165827D+01 -0.155201D+01 -0.110045D+01
                51            52            53            54            55 
      1  -0.155201D+01  0.352206D+01 -0.507632D+00  0.177091D+01 -0.549589D+01
      2  -0.110045D+01 -0.507632D+00 -0.633403D+00  0.152001D+01 -0.324847D+00
      3   0.735811D+00  0.177091D+01  0.152001D+01 -0.899431D+00 -0.409300D+01
                56            57            58            59            60 
      1  -0.324847D+00 -0.409300D+01  0.170922D+01 -0.712300D+00  0.234807D+01
      2  -0.156258D+00  0.233303D+01 -0.712300D+00 -0.880679D+00  0.168416D+01
      3   0.233303D+01 -0.150196D+01  0.234807D+01  0.168416D+01 -0.999135D+00
                61            62            63            64            65 
      1  -0.581291D+01  0.271234D+01 -0.269990D+01 -0.253839D+01  0.280269D+01
      2   0.271234D+01  0.235557D+01 -0.109189D+01  0.280269D+01 -0.202921D+01
      3  -0.269990D+01 -0.109189D+01 -0.330781D+00  0.352152D+01 -0.291495D+01
                66            67            68            69            70 
      1   0.352152D+01  0.975226D+00 -0.981808D+00 -0.289796D+01  0.440389D+01
      2  -0.291495D+01 -0.981808D+00  0.245855D+01 -0.111335D+01 -0.410568D+01
      3  -0.351345D+00 -0.289796D+01 -0.111335D+01  0.176958D+01 -0.112524D+01
                71            72            73            74            75 
      1  -0.410568D+01 -0.112524D+01  0.461214D+01 -0.433409D+01 -0.339630D+01
      2  -0.950801D+00  0.268609D+01 -0.433409D+01  0.572765D+01  0.354554D+01
      3   0.268609D+01  0.328540D+00 -0.339630D+01  0.354554D+01  0.648465D+00
                76            77            78            79            80 
      1  -0.212652D+01  0.402469D+01  0.297742D+01 -0.192442D+01  0.207646D+01
      2   0.402469D+01 -0.323323D+01 -0.906956D+00  0.207646D+01 -0.956462D+00
      3   0.297742D+01 -0.906956D+00 -0.169574D+01  0.171715D+00 -0.232689D+01
                81            82            83            84            85 
      1   0.171715D+00 -0.131317D+01  0.838259D+00  0.128669D+01  0.121385D+01
      2  -0.232689D+01  0.838259D+00  0.774487D+00 -0.269775D+00  0.354690D+01
      3   0.900445D+00  0.128669D+01 -0.269775D+00  0.114617D+01 -0.839271D+00
                86            87            88            89            90 
      1   0.354690D+01 -0.839271D+00  0.589014D+00 -0.616729D+00  0.193154D+01
      2   0.104090D+02 -0.558848D+01 -0.616729D+00 -0.348661D+01  0.130493D+01
      3  -0.558848D+01  0.140820D+01  0.193154D+01  0.130493D+01  0.901223D+00
                91            92            93            94            95 
      1  -0.119596D+01 -0.388490D+00 -0.246857D+01 -0.383044D+00 -0.160109D+01
      2  -0.388490D+00  0.505623D+00 -0.558567D+00 -0.160109D+01 -0.528473D+01
      3  -0.246857D+01 -0.558567D+00 -0.136430D+01 -0.541875D+00  0.488053D+01
                96            97            98            99           100 
      1  -0.541875D+00 -0.316286D+01 -0.263953D+00 -0.177123D+01  0.160751D+01
      2   0.488053D+01 -0.263953D+00  0.662288D+01 -0.231442D+01 -0.578183D+00
      3  -0.119150D+01 -0.177123D+01 -0.231442D+01  0.320824D+00  0.226271D+01
               101           102           103           104           105 
      1  -0.578183D+00  0.226271D+01 -0.110918D+01  0.253480D+01  0.133522D+01
      2   0.494868D+00  0.132165D+01  0.253480D+01 -0.419551D+01 -0.467605D+01
      3   0.132165D+01  0.162265D+01  0.133522D+01 -0.467605D+01 -0.797058D+00
               106           107           108           109           110 
      1   0.266178D+01  0.217638D+01  0.230251D+01 -0.169894D+00  0.257051D+01
      2   0.217638D+01 -0.611531D+01 -0.178428D+01  0.257051D+01 -0.227457D+01
      3   0.230251D+01 -0.178428D+01 -0.321314D+00 -0.570475D+00 -0.189451D+01
               111           112           113           114           115 
      1  -0.570475D+00  0.362789D+01 -0.487231D+01 -0.246029D+01 -0.416815D-01
      2  -0.189451D+01 -0.487231D+01  0.775920D+01  0.487941D+01 -0.154526D+01
      3  -0.146429D+01 -0.246029D+01  0.487941D+01  0.106660D+01 -0.220347D+01
               116           117           118           119           120 
      1  -0.154526D+01 -0.220347D+01 -0.487891D+00 -0.951531D+00  0.278562D+00
      2   0.290724D+01  0.768277D+00 -0.951531D+00 -0.412920D+00  0.420817D+00
      3   0.768277D+00 -0.906700D+00  0.278562D+00  0.420817D+00 -0.273572D+00
               121           122           123           124           125 
      1  -0.146867D+01  0.549000D+00  0.109425D+00  0.749466D+00  0.260563D+00
      2   0.549000D+00 -0.510375D+01  0.163486D+01  0.260563D+00  0.278534D+01
      3   0.109425D+00  0.163486D+01 -0.148783D+01  0.249337D+00 -0.201013D+01
               126           127           128           129           130 
      1   0.249337D+00  0.692652D+01 -0.334812D+01 -0.242152D+01 -0.267983D+01
      2  -0.201013D+01 -0.334812D+01  0.279363D+01  0.144247D+01  0.275843D+01
      3   0.210533D+01 -0.242152D+01  0.144247D+01  0.175234D+01  0.134333D+01
               131           132           133           134           135 
      1   0.275843D+01  0.134333D+01 -0.397106D+01  0.281067D+01  0.276493D+01
      2  -0.347409D+01 -0.119458D+01  0.281067D+01 -0.207709D+01 -0.218297D+01
      3  -0.119458D+01 -0.119704D+01  0.276493D+01 -0.218297D+01 -0.266824D+01
               136           137           138           139           140 
      1   0.307879D+01  0.131084D+01 -0.697116D+00  0.235263D+01  0.125465D+01
      2   0.131084D+01  0.946367D+00 -0.524630D+00  0.125465D+01  0.291084D+01
      3  -0.697116D+00 -0.524630D+00  0.864512D+00 -0.832690D+00 -0.121566D+01
               141           142           143           144           145 
      1  -0.832690D+00 -0.150893D+01 -0.101859D+01  0.160171D+01  0.991525D+01
      2  -0.121566D+01 -0.101859D+01 -0.201671D+01  0.123751D+01 -0.120992D+01
      3   0.124027D+01  0.160171D+01  0.123751D+01 -0.210305D+01  0.319769D+01
               146           147           148           149           150 
      1  -0.120992D+01  0.319769D+01 -0.170752D+01  0.175018D+01 -0.675298D+00
      2   0.130148D+01 -0.575738D+00  0.175018D+01 -0.864767D+00  0.419851D+00
      3  -0.575738D+00  0.208458D+01 -0.675298D+00  0.419851D+00 -0.401073D+00
               151           152           153           154           155 
      1   0.582523D+01 -0.970206D+00  0.349680D+01  0.383825D+01  0.134439D+01
      2  -0.970206D+00  0.221227D+00 -0.425936D+00  0.134439D+01  0.229058D+01
      3   0.349680D+01 -0.425936D+00  0.266893D+01  0.152579D+01  0.609892D+00
               156           157           158           159           160 
      1   0.152579D+01  0.773551D+00  0.136384D+01  0.299175D+00  0.250160D+01
      2   0.609892D+00  0.136384D+01  0.173106D+01  0.392295D+00  0.749569D+00
      3   0.142516D+01  0.299175D+00  0.392295D+00  0.508792D+00  0.161789D+01
               161           162           163           164           165 
      1   0.749569D+00  0.161789D+01  0.306395D+00  0.155089D+01 -0.295454D+00
      2   0.103655D+01  0.122093D+01  0.155089D+01  0.173194D+00 -0.119010D+00
      3   0.122093D+01  0.211156D+01 -0.295454D+00 -0.119010D+00  0.163693D+00
               166           167           168           169           170 
      1   0.124759D+01  0.767824D+00 -0.216535D+00 -0.117661D+00 -0.588311D+00
      2   0.767824D+00  0.102458D+02 -0.332025D+01 -0.588311D+00 -0.592742D+01
      3  -0.216535D+00 -0.332025D+01  0.211601D+01  0.511798D+00  0.348324D+01
               171           172           173           174           175 
      1   0.511798D+00 -0.463447D+01  0.112296D+01 -0.167430D+01  0.331862D+00
      2   0.348324D+01  0.112296D+01 -0.192933D+01  0.269316D+00 -0.117254D+01
      3  -0.266567D+01 -0.167430D+01  0.269316D+00 -0.150762D+01 -0.382549D-01
               176           177           178           179           180 
      1  -0.117254D+01 -0.382549D-01 -0.277466D+01  0.291473D+00 -0.187488D+01
      2   0.506244D+00 -0.243186D+00  0.291473D+00 -0.766891D+00  0.767554D+00
      3  -0.243186D+00  0.127443D+00 -0.187488D+01  0.767554D+00 -0.211191D+01
               181           182           183           184           185 
      1  -0.158682D+01  0.200757D+01  0.573117D+00  0.186526D+01 -0.245339D+01
      2   0.200757D+01 -0.180308D+01 -0.842112D+00 -0.245339D+01  0.913420D+01
      3   0.573117D+00 -0.842112D+00 -0.696763D+00 -0.938557D+00  0.304155D+01
               186           187           188           189           190 
      1  -0.938557D+00  0.782011D+00 -0.194095D+01 -0.137996D+01 -0.422878D+01
      2   0.304155D+01 -0.194095D+01  0.526130D+01  0.323643D+01  0.902595D+00
      3   0.200280D+01 -0.137996D+01  0.323643D+01  0.266320D+01  0.106607D+01
               191           192           193           194           195 
      1   0.902595D+00  0.106607D+01  0.199771D+01 -0.102776D+01 -0.872192D+00
      2  -0.996807D+00 -0.562848D+00 -0.102776D+01  0.207545D+01  0.851446D+00
      3  -0.562848D+00 -0.115028D+01 -0.872192D+00  0.851446D+00  0.981540D+00
               196           197           198           199           200 
      1   0.205224D+01 -0.100798D+01 -0.186359D+01 -0.827756D+01 -0.262412D+01
      2  -0.100798D+01  0.149223D+01  0.792559D+00 -0.262412D+01 -0.191774D+01
      3  -0.186359D+01  0.792559D+00  0.211000D+01 -0.271093D+01 -0.117676D+01
               201           202           203           204           205 
      1  -0.271093D+01 -0.298432D+01 -0.247561D+01 -0.127327D+01 -0.498806D+01
      2  -0.117676D+01 -0.247561D+01 -0.233835D+01 -0.904740D+00 -0.222143D+01
      3  -0.191427D+01 -0.127327D+01 -0.904740D+00 -0.915302D+00 -0.327297D+01
               206           207           208           209           210 
      1  -0.222143D+01 -0.327297D+01  0.128089D+01 -0.883042D+00 -0.497717D+00
      2  -0.105935D+01 -0.129828D+01 -0.883042D+00  0.125627D+01  0.716651D+00
      3  -0.129828D+01 -0.266666D+01 -0.497717D+00  0.716651D+00  0.640846D+00
               211           212           213           214           215 
      1  -0.113533D+01  0.199018D+00  0.407031D+00 -0.100654D+01  0.724537D+00
      2   0.199018D+00 -0.497551D+01 -0.141740D+01  0.724537D+00 -0.252307D+01
      3   0.407031D+00 -0.141740D+01 -0.137013D+01  0.267310D+00 -0.200791D+01
               216           217           218           219           220 
      1   0.267310D+00 -0.450125D+01 -0.324195D+01  0.165840D+01 -0.260258D+01
      2  -0.200791D+01 -0.324195D+01 -0.333976D+01  0.156457D+01 -0.313390D+01
      3  -0.210642D+01  0.165840D+01  0.156457D+01 -0.139117D+01  0.146539D+01
               221           222           223           224           225 
      1  -0.313390D+01  0.146539D+01  0.246786D+01  0.291243D+01 -0.211835D+01
      2  -0.581691D+01  0.195869D+01  0.291243D+01  0.358017D+01 -0.281407D+01
      3   0.195869D+01 -0.160388D+01 -0.211835D+01 -0.281407D+01  0.266815D+01
               226           227           228           229           230 
      1   0.243231D+01 -0.373617D+00  0.360271D+00 -0.185865D+01  0.122292D+01
      2  -0.373617D+00  0.319374D+01 -0.210109D+01  0.122292D+01 -0.401033D+01
      3   0.360271D+00 -0.210109D+01  0.162780D+01 -0.989879D+00  0.155335D+01
               231           232           233           234           235 
      1  -0.989879D+00  0.452386D+00 -0.110340D+01  0.709548D+00 -0.136415D+01
      2   0.155335D+01 -0.110340D+01  0.811887D+00 -0.962812D+00 -0.298782D+00
      3  -0.141033D+01  0.709548D+00 -0.962812D+00  0.185066D+01  0.112930D+01
               236           237           238           239           240 
      1  -0.298782D+00  0.112930D+01  0.537275D+00  0.117126D+01 -0.874208D+00
      2  -0.339052D+00 -0.146557D+00  0.117126D+01  0.191677D+01 -0.214090D+00
      3  -0.146557D+00 -0.163990D+01 -0.874208D+00 -0.214090D+00  0.150634D+01
               241           242           243           244           245 
      1   0.138734D+01  0.303193D+00 -0.140995D+01 -0.234249D+01  0.140465D+01
      2   0.303193D+00  0.138593D+01 -0.377762D+00  0.140465D+01 -0.183182D+01
      3  -0.140995D+01 -0.377762D+00  0.594943D+01 -0.683651D+00  0.107636D+01
               246           247           248           249           250 
      1  -0.683651D+00  0.369726D+01 -0.917960D+00  0.219023D+01 -0.224733D+00
      2   0.107636D+01 -0.917960D+00  0.328250D+01 -0.123108D+01  0.104231D+01
      3  -0.931923D+00  0.219023D+01 -0.123108D+01  0.194253D+01 -0.740046D+00
               251           252           253           254           255 
      1   0.104231D+01 -0.740046D+00  0.218381D+01  0.498066D+00  0.381965D+00
      2  -0.104288D+01  0.938885D+00  0.498066D+00 -0.267465D+00  0.458865D+00
      3   0.938885D+00 -0.185221D+01  0.381965D+00  0.458865D+00  0.102002D+01
               256           257           258           259           260 
      1  -0.118682D+01 -0.676062D+00 -0.269675D+00 -0.153738D+01 -0.261029D+00
      2  -0.676062D+00 -0.111375D+01 -0.129754D+01 -0.261029D+00 -0.123012D+01
      3  -0.269675D+00 -0.129754D+01 -0.198323D+01 -0.741243D+00 -0.126463D+01
               261           262           263           264           265 
      1  -0.741243D+00 -0.558926D+01  0.343190D+00  0.259069D+01 -0.619384D+00
      2  -0.126463D+01  0.343190D+00 -0.230740D+01 -0.299264D+00 -0.389000D-01
      3  -0.595530D+01  0.259069D+01 -0.299264D+00 -0.203277D+01  0.812327D+00
               266           267           268           269           270 
      1  -0.389000D-01  0.812327D+00  0.167728D+01  0.398049D+00 -0.118665D+01
      2  -0.132433D+01 -0.679249D+00  0.398049D+00 -0.413141D+00 -0.134188D+00
      3  -0.679249D+00 -0.703674D+00 -0.118665D+01 -0.134188D+00  0.184916D+01
               271           272           273           274           275 
      1   0.650702D+00 -0.879211D+00  0.561628D+00  0.110930D-01  0.846509D+00
      2  -0.879211D+00  0.232779D+01  0.120078D+01  0.846509D+00  0.237558D+00
      3   0.561628D+00  0.120078D+01  0.212272D+01  0.472384D+00  0.353727D+00
               276           277           278           279           280 
      1   0.472384D+00  0.112396D+01 -0.153983D+00  0.374542D+00  0.521542D+01
      2   0.353727D+00 -0.153983D+00  0.165341D+01  0.141611D+01  0.101752D+01
      3   0.670282D+00  0.374542D+00  0.141611D+01  0.595800D+01 -0.250677D+01
               281           282           283           284           285 
      1   0.101752D+01 -0.250677D+01  0.666628D+00  0.481348D+00 -0.250489D-01
      2   0.292112D+01 -0.113493D+01  0.481348D+00 -0.529278D+00  0.592190D+00
      3  -0.113493D+01  0.214507D+01 -0.250489D-01  0.592190D+00 -0.162234D+00
               286           287           288           289           290 
      1  -0.174209D+01 -0.167453D+00  0.118270D+01 -0.420954D+00 -0.140450D+00
      2  -0.167453D+00  0.474219D+00  0.171763D+00 -0.140450D+00 -0.250687D+01
      3   0.118270D+01  0.171763D+00 -0.184895D+01 -0.958034D+00  0.104096D+01
               291           292           293           294           295 
      1  -0.958034D+00  0.350984D+00 -0.856858D+00  0.314402D+00 -0.107880D+01
      2   0.104096D+01 -0.856858D+00 -0.854796D+00  0.450488D-01 -0.283206D-02
      3  -0.221986D+01  0.314402D+00  0.450488D-01  0.110051D+00 -0.721113D+00
               296           297           298           299           300 
      1  -0.283206D-02 -0.721113D+00  0.745174D+00  0.107570D+01 -0.833813D-01
      2  -0.168679D+01  0.127240D+01  0.107570D+01  0.151020D+01  0.731392D+00
      3   0.127240D+01 -0.595399D+01 -0.833813D-01  0.731392D+00  0.406542D+00
               301           302           303           304           305 
      1   0.352221D+01  0.121342D+01  0.184268D+01 -0.233180D+00  0.706628D+00
      2   0.121342D+01  0.429401D+01  0.199829D+01  0.706628D+00  0.150094D+01
      3   0.184268D+01  0.199829D+01  0.211876D+01  0.478317D+00  0.109886D+01
               306           307           308           309           310 
      1   0.478317D+00 -0.180584D+01 -0.308691D+00 -0.320700D+00 -0.203903D+01
      2   0.109886D+01 -0.308691D+00  0.541959D+00  0.369328D-01  0.509004D+00
      3   0.185501D+01 -0.320700D+00  0.369328D-01 -0.479953D+00 -0.693711D+00
               311           312           313           314           315 
      1   0.509004D+00 -0.693711D+00  0.165254D+01 -0.153253D+00  0.103534D+01
      2  -0.675370D+00  0.123951D+01 -0.153253D+00  0.112681D+01 -0.103600D+01
      3   0.123951D+01 -0.217926D+01  0.103534D+01 -0.103600D+01  0.595194D+01
               316           317           318           319           320 
      1  -0.187192D+01 -0.187087D-02  0.320300D+00 -0.193201D+01 -0.553632D+00
      2  -0.187087D-02 -0.208596D+01 -0.160869D+01 -0.553632D+00 -0.516807D+01
      3   0.320300D+00 -0.160869D+01 -0.121724D+01 -0.496348D+00 -0.223905D+01
               321           322           323           324           325 
      1  -0.496348D+00  0.653737D-01 -0.875870D+00 -0.443366D+00  0.109383D+01
      2  -0.223905D+01 -0.875870D+00 -0.133536D+01 -0.111344D+01  0.338022D+00
      3  -0.178073D+01 -0.443366D+00 -0.111344D+01 -0.185526D+01 -0.793882D+00
               326           327           328           329           330 
      1   0.338022D+00 -0.793882D+00  0.153156D+01 -0.131781D+01 -0.114065D+01
      2  -0.680492D-01 -0.411705D+00 -0.131781D+01  0.127790D+01 -0.122361D+00
      3  -0.411705D+00  0.120546D+01 -0.114065D+01 -0.122361D+00  0.187695D+01
               331           332           333 
      1  -0.153783D+01  0.264087D+00  0.146507D+01
      2   0.264087D+00 -0.123652D+01 -0.766109D-02
      3   0.146507D+01 -0.766109D-02 -0.595190D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.464552D+01 -0.552197D+01 -0.474761D+01 -0.719843D+01  0.335252D+01
      2   0.545468D+01  0.434419D+01  0.694977D+01  0.498555D+01 -0.470992D+01
      3   0.350567D+01 -0.769475D+01  0.204498D+01 -0.145509D+01  0.320797D+01
                 6             7             8             9            10 
      1   0.209944D+01 -0.531617D+01  0.365771D+01  0.107171D+01 -0.166170D+01
      2  -0.194491D+01  0.298074D+01 -0.574239D+00 -0.900933D+00  0.184580D-02
      3   0.955263D+01 -0.507790D+00  0.136947D+02  0.596667D+01 -0.868352D+00
                11            12            13            14            15 
      1   0.450053D+01 -0.183294D+00  0.431569D+01  0.205262D+01 -0.558345D+01
      2  -0.988844D+01 -0.753384D+00 -0.811592D+01 -0.143958D+01  0.686068D+01
      3   0.759507D+00  0.976565D+01  0.695433D+01 -0.584859D+01 -0.560161D+00
                16            17            18            19            20 
      1  -0.814396D+00 -0.132001D+01 -0.607835D+00  0.517566D+01 -0.959760D+01
      2  -0.190569D+01  0.674543D+01  0.133857D+01  0.166773D+02  0.497702D+01
      3   0.130877D+02 -0.412799D+01 -0.598867D+01 -0.128646D+02  0.742134D+01
                21            22            23            24            25 
      1   0.668501D+01 -0.158097D+02 -0.185108D+00 -0.933192D+01  0.457464D+01
      2  -0.339810D+00 -0.239612D+01  0.866357D+00 -0.889826D+01 -0.246309D+02
      3  -0.928670D+01  0.269010D+02  0.424323D+01  0.103038D+02 -0.312407D+01
                26            27            28            29            30 
      1   0.365417D-02  0.267765D+00  0.889527D-01 -0.449320D+00 -0.265510D-01
      2  -0.100957D+02 -0.183033D+02 -0.189989D+00 -0.302379D+00  0.172733D+01
      3   0.640911D+01  0.266894D+01 -0.923709D-01 -0.708032D+00  0.116001D+00
                31            32            33            34            35 
      1  -0.278461D+00 -0.235888D+00 -0.166754D+01  0.960245D-01 -0.313164D+01
      2  -0.167580D+00  0.282965D+00 -0.106894D+00  0.344310D+01 -0.300860D+00
      3   0.618954D+00  0.188421D+00  0.448379D-02  0.102674D+00 -0.194530D-01
                36            37            38            39            40 
      1  -0.300714D+00  0.867117D+00 -0.194223D+01  0.103003D+02  0.679627D+01
      2   0.983970D-01 -0.684918D+01 -0.125815D+02  0.462433D+01 -0.851660D+01
      3   0.103305D+00 -0.118857D+02 -0.201793D+02  0.745733D+01 -0.628578D+00
                41            42            43            44            45 
      1   0.173428D+02 -0.430960D+01  0.154202D+02  0.191618D+02 -0.175717D+02
      2   0.697092D+01 -0.802121D+01 -0.551397D+01 -0.986217D+01  0.500860D+01
      3   0.204339D+02 -0.116917D+02  0.526330D+01 -0.468969D+01 -0.266451D+01
                46            47            48            49            50 
      1  -0.275367D+01 -0.871975D+01 -0.328323D+01 -0.167147D+02 -0.638757D+01
      2   0.160300D+02 -0.324891D+01 -0.359461D+01  0.222907D+01 -0.424010D+00
      3   0.329927D+01  0.944939D+01  0.635867D+01  0.289877D+02  0.514404D+01
                51            52            53            54            55 
      1  -0.125346D+02  0.237199D+01 -0.204716D+01  0.447604D+01  0.456238D+00
      2   0.563206D+01 -0.268078D+02  0.329443D+01 -0.178534D+02 -0.452349D+01
      3   0.123665D+02  0.145900D+01  0.704768D+01 -0.273390D+01 -0.688732D+00
                56            57            58            59            60 
      1   0.237074D+01  0.127975D+01  0.264622D+01 -0.433876D+00 -0.345401D+01
      2   0.999025D+01  0.140574D+01  0.820129D+01  0.309043D+01 -0.796153D+01
      3  -0.939112D+00 -0.929426D+01  0.528193D+01  0.741790D+01 -0.304031D+01
                61            62            63            64            65 
      1   0.112053D+01  0.751255D+00  0.256078D+00  0.520855D+01 -0.234175D+01
      2   0.105928D+00 -0.699998D+01  0.140404D+01  0.868549D+01 -0.191871D+01
      3  -0.115935D+02 -0.733400D+01  0.594424D+01 -0.121946D+01 -0.719280D+01
                66            67            68            69            70 
      1   0.234400D+01 -0.377501D+01 -0.416748D+01  0.220432D+01  0.344021D+01
      2   0.704344D+01 -0.295046D+01 -0.768237D+01  0.431468D+01  0.377057D+01
      3  -0.438762D+01 -0.970846D+00 -0.549875D+01  0.874442D+01 -0.299199D+01
                71            72            73            74            75 
      1   0.435503D+01 -0.845051D+00 -0.157299D+00 -0.238119D+00 -0.925453D+01
      2   0.245691D+01 -0.119584D+01 -0.115529D+02  0.809246D+01  0.142209D+00
      3   0.134212D+02 -0.595398D+01  0.149758D+02 -0.108632D+02 -0.432100D+01
                76            77            78            79            80 
      1   0.919586D+01 -0.174395D+02 -0.883450D+01 -0.172249D+02  0.120913D+02
      2   0.632414D+01  0.709263D+01  0.694866D+01 -0.126672D+02  0.116145D+02
      3   0.865557D+01 -0.234260D+02 -0.132063D+02 -0.396961D+01 -0.598782D+01
                81            82            83            84            85 
      1   0.157933D+02 -0.281909D+01  0.266011D+01 -0.833122D+00 -0.609952D+00
      2   0.940613D+01 -0.124065D+02 -0.151493D+02  0.136143D+02 -0.611583D+01
      3   0.270304D+01 -0.149304D+02 -0.257663D+02  0.135347D+02 -0.632110D+01
                86            87            88            89            90 
      1   0.155414D+02  0.469411D+01  0.422649D+01  0.248531D+02 -0.159477D+02
      2  -0.731774D+00 -0.139455D+01  0.187100D+00 -0.974509D+01  0.893303D+01
      3   0.625064D+01  0.291092D+01  0.706813D+01 -0.465657D+00  0.266262D+01
                91            92            93            94            95 
      1   0.714558D+01  0.552900D+01  0.785845D+01  0.716292D+01 -0.858163D+01
      2  -0.101655D+01  0.109904D+01  0.956612D+00  0.388958D+00  0.140910D+01
      3  -0.793304D+01 -0.290036D+01 -0.535428D+01  0.331681D+01  0.122627D+01
                96            97            98            99           100 
      1  -0.385685D+01  0.624183D+01 -0.210821D+01  0.146225D+01 -0.881106D+01
      2  -0.117203D+01 -0.275762D+01 -0.333616D+00 -0.143140D+00 -0.284122D+01
      3  -0.817163D+01 -0.101042D+02 -0.928844D+01 -0.597968D+01  0.720895D+01
               101           102           103           104           105 
      1   0.123403D+01 -0.654892D+01  0.262519D+01  0.100767D+02 -0.591863D+01
      2  -0.133723D+01 -0.105629D+01 -0.223867D+00  0.357680D+01 -0.147551D+00
      3  -0.670793D+00  0.725142D+01  0.555995D+01 -0.519549D+00 -0.654603D+01
               106           107           108           109           110 
      1  -0.463663D+01 -0.342368D+01 -0.136873D+01  0.541980D+01  0.406625D+01
      2  -0.405652D+01 -0.128462D+01 -0.501769D+00 -0.159915D+02  0.124029D+02
      3   0.121378D+02 -0.636644D+01  0.599238D+01  0.214022D+02 -0.185061D+02
               111           112           113           114           115 
      1  -0.359409D+01  0.317205D+01 -0.143152D+02  0.338628D+01 -0.945655D+01
      2   0.123456D+02  0.274333D+01  0.132125D+00  0.588140D+01 -0.482005D+01
      3  -0.138790D+02  0.975983D+00 -0.128242D+02 -0.635878D+00 -0.681399D+01
               116           117           118           119           120 
      1   0.198171D+02  0.132394D+02  0.940118D+00  0.128720D+01 -0.152258D+01
      2   0.150417D+02  0.127655D+02  0.101051D+01  0.136475D+01 -0.639737D+00
      3  -0.229713D+01 -0.269846D+01  0.629720D+01  0.331759D+01 -0.233634D+01
               121           122           123           124           125 
      1   0.499137D+00  0.485706D+01 -0.520079D+01  0.105776D+00 -0.388845D+01
      2   0.719826D+00  0.539556D+01 -0.388825D+01 -0.181853D+01 -0.523142D+01
      3   0.388018D+01  0.132432D+02 -0.538487D+01 -0.386319D+01 -0.908011D+01
               126           127           128           129           130 
      1   0.625358D+01 -0.242886D+01  0.131513D+01  0.337420D+01  0.819815D+00
      2   0.687233D+01 -0.174463D+01  0.221494D+01  0.505254D+01  0.114398D+01
      3   0.516883D+01 -0.550484D+01 -0.213657D+01  0.615516D+00 -0.796284D+00
               131           132           133           134           135 
      1  -0.269975D+00 -0.268894D+01  0.190847D+01 -0.430022D+00 -0.408434D+01
      2  -0.119960D+01 -0.341049D+01  0.184232D+00 -0.177370D+01 -0.585037D+01
      3   0.437511D+01  0.899194D+00  0.404334D+01 -0.821789D+00  0.177621D+00
               136           137           138           139           140 
      1  -0.126941D+00 -0.232297D+00 -0.201844D+00 -0.133014D+00 -0.335300D+00
      2  -0.295659D+01 -0.243362D+01  0.349900D+01 -0.344631D+01 -0.565215D+01
      3  -0.620637D+01 -0.378966D+01  0.217284D+01 -0.321396D+01 -0.133336D+02
               141           142           143           144           145 
      1  -0.106855D+01 -0.273232D+00  0.165665D+01 -0.479208D+00  0.544548D+00
      2   0.560794D+01  0.374825D+01  0.538873D+01 -0.925734D+01  0.391966D+01
      3   0.544869D+01  0.371838D+01  0.912908D+01 -0.516468D+01 -0.940397D+00
               146           147           148           149           150 
      1   0.770799D+00  0.123269D+01  0.358670D+00 -0.351628D+00 -0.490532D+00
      2  -0.419458D+00  0.725609D+01 -0.152255D+01  0.594157D-01 -0.118897D+01
      3  -0.560082D+01 -0.208042D+00 -0.425748D+01  0.207589D+01 -0.107022D+01
               151           152           153           154           155 
      1  -0.175370D+00  0.153725D+01  0.128037D+01 -0.682767D+01 -0.228944D+01
      2   0.215378D+01  0.431629D-01  0.702067D+01  0.142387D+01  0.569364D+00
      3   0.342009D+01 -0.229148D+01 -0.182867D+00  0.145798D+02  0.910818D+00
               156           157           158           159           160 
      1  -0.582461D+01 -0.133235D+01 -0.162121D+01 -0.186654D+01 -0.637256D+01
      2   0.271261D+01  0.205424D+00  0.390158D+00  0.422260D+00  0.154225D+00
      3   0.583272D+01  0.150640D+01  0.491024D+01  0.659654D+00  0.979579D+01
               161           162           163           164           165 
      1  -0.192560D+01 -0.908971D+01 -0.155647D+00 -0.262531D+00 -0.703850D+00
      2   0.124509D+01  0.198011D+01  0.418195D-01  0.593187D+00  0.342696D+00
      3   0.117992D+01  0.516937D+01  0.642194D+00  0.433357D+01 -0.108939D+01
               166           167           168           169           170 
      1   0.912037D+00  0.406831D+01 -0.740251D+01 -0.970986D+00 -0.185268D+01
      2   0.700340D+00 -0.911161D+00  0.657863D+00 -0.122395D+01  0.109542D+01
      3   0.568268D+01 -0.177137D+01  0.797823D-01 -0.131009D+01  0.390909D+01
               171           172           173           174           175 
      1   0.710302D+01  0.674823D+01 -0.663339D+00  0.521540D+01  0.168954D+00
      2  -0.615675D+00  0.337709D+01 -0.445435D+00  0.418954D+01  0.139915D+00
      3   0.183780D+00 -0.145483D+02 -0.164931D+01 -0.581769D+01 -0.107639D+01
               176           177           178           179           180 
      1   0.989338D+00 -0.358244D+00  0.633628D+01  0.775939D-01  0.829075D+01
      2   0.535764D+00  0.207876D+00  0.214160D+01 -0.119446D+01  0.423040D+01
      3  -0.499082D+01 -0.863658D+00 -0.979022D+01 -0.137839D+01 -0.518241D+01
               181           182           183           184           185 
      1  -0.337124D+00  0.775101D+00  0.234974D+01  0.194287D+01 -0.321594D+01
      2   0.221125D+00 -0.835851D-01  0.113621D+01  0.112374D+00 -0.204635D+01
      3  -0.294779D+01  0.308822D+01  0.102858D+01  0.444635D+01  0.407325D+01
               186           187           188           189           190 
      1  -0.661150D+01  0.159073D+01 -0.113767D+01 -0.670494D+01  0.138655D+01
      2  -0.230191D+01 -0.518167D+00 -0.171741D+01 -0.239587D+01 -0.438574D+01
      3   0.353218D+00  0.269260D+00  0.410929D+01 -0.186220D+00  0.835933D+01
               191           192           193           194           195 
      1  -0.939562D+00 -0.765379D+00 -0.110264D+01  0.126096D+01  0.201435D+00
      2   0.256312D+01  0.476071D+01  0.355026D+01 -0.386576D+01 -0.465307D+01
      3  -0.508600D+01 -0.349448D+01 -0.448458D+01  0.111666D+02  0.473509D+01
               196           197           198           199           200 
      1  -0.141777D+01  0.271674D+01  0.282442D+01 -0.155053D+01  0.142581D+00
      2   0.476230D+01 -0.372566D+01 -0.887713D+01  0.290776D+01  0.133048D+01
      3  -0.590880D+01  0.793048D+01  0.518041D+01  0.317126D+01 -0.422607D+01
               201           202           203           204           205 
      1  -0.273280D+01 -0.539872D+00  0.346486D+00 -0.151843D+01 -0.744375D+00
      2   0.622459D+01  0.229641D+01  0.911226D+00  0.269500D+01  0.196186D+01
      3   0.468966D+00 -0.287052D+01 -0.428979D+01 -0.979879D+00 -0.273053D+01
               206           207           208           209           210 
      1   0.135160D+01 -0.301464D+01 -0.204518D+01  0.265287D+01  0.309174D+01
      2   0.875298D+00  0.645546D+01  0.132650D+01 -0.168501D+01 -0.836574D+00
      3  -0.308339D+01  0.179268D+00 -0.848897D+01  0.453286D+01  0.363490D+01
               211           212           213           214           215 
      1   0.170919D+01 -0.519145D+01 -0.540153D+01  0.161665D+01 -0.486052D+01
      2  -0.125124D+01  0.339247D+01  0.230904D+01 -0.274856D+01  0.349567D+01
      3   0.509289D+01 -0.110251D+02 -0.460016D+01  0.604012D+01 -0.779326D+01
               216           217           218           219           220 
      1  -0.777644D+01  0.193725D+01  0.219753D+01 -0.351932D+01  0.144395D+01
      2   0.505160D+01 -0.408722D+00 -0.162893D+01  0.323994D+01 -0.721164D+00
      3  -0.516159D+01  0.559257D+01  0.476813D+00 -0.823907D+00  0.182009D+01
               221           222           223           224           225 
      1   0.142963D+01 -0.451507D+01 -0.161871D+01 -0.133569D+01  0.544165D+01
      2  -0.176083D+01  0.356110D+01 -0.700778D+00  0.148880D+01 -0.462459D+01
      3  -0.445773D+01  0.722125D+00 -0.370270D+01 -0.181625D+01 -0.183304D+00
               226           227           228           229           230 
      1   0.647188D+00  0.449630D+01  0.906195D-01  0.916611D+00 -0.192940D+01
      2  -0.672969D+01  0.475688D+01 -0.259578D+01  0.412990D+01 -0.401516D+01
      3  -0.833931D+01  0.647851D+01 -0.418690D+01  0.610058D+01 -0.585986D+01
               231           232           233           234           235 
      1  -0.112743D+01  0.992159D+00 -0.691557D+00  0.156145D+01  0.221505D+01
      2   0.296826D+01 -0.256499D+01  0.188429D+01 -0.264097D+01  0.812910D+00
      3   0.320552D+01 -0.120888D+01  0.203284D+01 -0.306305D+01  0.187444D+01
               236           237           238           239           240 
      1  -0.124959D+01 -0.382122D+01 -0.200176D+01 -0.650522D+00  0.525085D+01
      2   0.511773D+00  0.427323D+00 -0.165457D+01 -0.170029D+01 -0.496479D-01
      3  -0.996910D+00 -0.233593D+01 -0.203818D+01 -0.257302D+01  0.253193D+01
               241           242           243           244           245 
      1  -0.309239D+01  0.117489D+01  0.123890D+02 -0.196770D+01  0.302144D+01
      2  -0.185360D+01 -0.719664D-02 -0.280129D+01  0.166553D+00  0.414804D+00
      3  -0.258741D+01 -0.118108D+00  0.270368D+01  0.282063D+01 -0.457710D+01
               246           247           248           249           250 
      1  -0.179467D+01  0.459162D+01 -0.876772D+01  0.308889D+01 -0.980589D+00
      2   0.161578D+01  0.371738D+01  0.145690D+01 -0.122555D+01  0.668247D+00
      3   0.196966D+01 -0.497877D+01  0.114026D+02 -0.489518D+01  0.162149D+01
               251           252           253           254           255 
      1   0.257848D+01 -0.213538D+01 -0.207955D+01 -0.119474D+01 -0.114513D+01
      2  -0.190810D+01  0.218764D+01 -0.744166D+00 -0.763279D+00 -0.390094D+01
      3  -0.171323D+01  0.306294D+01  0.303011D+01  0.688017D+00  0.181835D+01
               256           257           258           259           260 
      1   0.112953D+01  0.167513D+01  0.933660D+00  0.405793D+00  0.259157D+01
      2  -0.599477D+00  0.246784D+01  0.498200D+01 -0.405373D+00  0.268174D+01
      3  -0.369503D+00 -0.232130D+01 -0.292057D+01 -0.844492D+00 -0.244126D+01
               261           262           263           264           265 
      1   0.583983D+00 -0.559270D+01 -0.344358D+01  0.385724D+01 -0.220439D+01
      2   0.126735D+02  0.743210D+01  0.202211D+00 -0.105375D+01  0.363096D+01
      3  -0.270275D+01 -0.119495D+02 -0.402760D+01  0.486383D+01 -0.442519D+01
               266           267           268           269           270 
      1  -0.312681D+01  0.419709D+00  0.307364D+01  0.137786D+01 -0.305677D+01
      2  -0.910128D+00 -0.808635D+00 -0.500105D+00 -0.164214D+00 -0.146298D-01
      3  -0.233122D+01  0.201037D+01  0.235854D+01  0.124049D-01 -0.307823D+01
               271           272           273           274           275 
      1  -0.124991D+01  0.938012D+00 -0.344339D+01 -0.555754D+00 -0.341756D+00
      2  -0.102305D+01 -0.332480D+01 -0.547897D+01 -0.153574D+01  0.437255D-01
      3  -0.132366D+00  0.319802D+01  0.336462D+01  0.213774D+01 -0.532763D+00
               276           277           278           279           280 
      1  -0.654839D+00 -0.486595D+00  0.346813D+00 -0.862284D+01  0.460362D+01
      2  -0.412632D+00 -0.268390D+01 -0.261553D+01 -0.934700D+01  0.929995D+01
      3   0.751760D+00  0.119849D+01  0.229256D+01  0.270854D+01  0.133974D+02
               281           282           283           284           285 
      1  -0.294112D+01 -0.339907D+01 -0.845743D+00  0.216065D+01 -0.707304D+00
      2   0.138133D+01 -0.213146D+01 -0.158842D+01 -0.801590D+00  0.362173D+00
      3  -0.116318D+01 -0.520698D+01 -0.149942D+01  0.849920D+00  0.712178D+00
               286           287           288           289           290 
      1  -0.307272D+01  0.531090D+00  0.296524D+01  0.154676D+01  0.349068D+00
      2  -0.137404D+01  0.200439D+00  0.735017D+00 -0.170877D+01  0.297948D+01
      3  -0.229781D+01 -0.551202D+00  0.305619D+01 -0.109368D+01  0.278299D+01
               291           292           293           294           295 
      1   0.472693D+01 -0.647283D+00  0.685848D-01  0.506462D+00  0.115545D+01
      2  -0.430753D+01  0.948237D+00  0.130055D+01 -0.883703D+00 -0.301748D+01
      3  -0.342030D+01  0.173342D+01  0.183975D+01 -0.102564D+00 -0.168120D+01
               296           297           298           299           300 
      1  -0.333441D-01  0.106842D+02  0.230382D+00  0.953708D+00  0.634074D+00
      2   0.193173D+01 -0.683736D+01  0.137597D+01 -0.241190D+00  0.144372D+01
      3   0.196747D+01 -0.269643D+01 -0.108436D+01 -0.184413D+01 -0.687811D+00
               301           302           303           304           305 
      1   0.327721D+01  0.979727D+01  0.290113D+01  0.253342D+00  0.212407D+01
      2  -0.303855D+01  0.293526D+01  0.243344D+01  0.225656D+00  0.265775D+01
      3  -0.219199D+01 -0.132137D+02 -0.521922D+01 -0.114286D+01 -0.206744D+01
               306           307           308           309           310 
      1   0.152433D+01  0.198576D+01 -0.223083D+00  0.148523D+01  0.202395D+01
      2   0.266240D+01 -0.379593D+00 -0.131308D+00 -0.220385D+01  0.262503D+00
      3  -0.308305D+01 -0.273999D+01 -0.621522D+00 -0.103052D+01 -0.166913D+01
               311           312           313           314           315 
      1  -0.206409D+01  0.263663D+01 -0.107082D+01  0.303435D+01 -0.376874D+01
      2   0.220318D+01 -0.535764D+01 -0.365066D-01 -0.203928D+01  0.121232D+02
      3   0.210776D+01 -0.330460D+01  0.137799D+01 -0.218745D+01  0.271872D+01
               316           317           318           319           320 
      1  -0.659627D+00  0.464635D+01  0.658089D+00  0.102254D+01  0.461520D+01
      2  -0.475430D+01 -0.378083D+01 -0.164621D+01 -0.408405D+01 -0.538659D+01
      3   0.515228D+01  0.626487D+01  0.323846D+01  0.586977D+01  0.911523D+01
               321           322           323           324           325 
      1  -0.192177D+00 -0.268602D+00 -0.252209D+00 -0.833938D+00 -0.127760D+01
      2  -0.369652D+01 -0.216936D+01 -0.261720D+01 -0.294570D+01  0.439121D-01
      3   0.416333D+01  0.682693D+00  0.226014D+01  0.306550D+01 -0.845065D+00
               326           327           328           329           330 
      1  -0.165673D+01  0.216176D+01 -0.298366D+01 -0.260522D-01  0.581886D+01
      2  -0.420815D+00  0.982560D+00  0.149859D+01 -0.127609D+01  0.167955D+01
      3  -0.187787D+01  0.161950D+01 -0.292948D+01  0.154833D+01  0.304032D+01
               331           332           333 
      1   0.305766D+01  0.196363D+01 -0.112554D+02
      2  -0.105833D+01  0.463129D-01 -0.584327D+01
      3   0.252843D+01  0.523966D+00 -0.271226D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341732D+01 -0.386279D+01 -0.118633D-01 -0.490424D+00  0.490671D+01
      2  -0.455277D+01 -0.910991D+00  0.135720D+02  0.761081D-02 -0.118557D+02
      3   0.113545D+01  0.477378D+01 -0.135602D+02  0.482813D+00  0.694904D+01
      4  -0.904685D+01 -0.169638D+02  0.191355D+02 -0.879240D+01 -0.155391D+02
      5   0.742842D+01  0.148083D+02 -0.363318D+01  0.146071D+02  0.636626D+01
      6   0.105570D+02  0.185072D+02 -0.907507D+00  0.176523D+02  0.135588D+01
                 6             7             8             9            10 
      1   0.156487D+02 -0.390279D+01  0.163428D+02  0.737177D+01 -0.215596D+02
      2  -0.928596D+01  0.157145D+02 -0.102764D+02 -0.118532D+02  0.136736D+02
      3  -0.636270D+01 -0.118117D+02 -0.606648D+01  0.448139D+01  0.788599D+01
      4   0.156007D+02  0.219241D+02  0.209661D+02 -0.892636D+01 -0.147939D+02
      5  -0.869152D+01 -0.334519D+01 -0.109653D+02  0.212872D+01 -0.145348D+02
      6  -0.101089D+02 -0.268813D+01 -0.151511D+02  0.135308D+01 -0.104821D+02
                11            12            13            14            15 
      1  -0.101792D+01 -0.633212D+01 -0.619622D+01 -0.566793D+01 -0.214575D+02
      2   0.238239D+01 -0.338737D+01  0.329605D+01  0.547659D+01  0.100764D+02
      3  -0.136447D+01  0.971949D+01  0.290017D+01  0.191333D+00  0.113812D+02
      4  -0.527043D+01 -0.225247D+02 -0.128757D+02 -0.104538D+00 -0.727530D+01
      5  -0.202490D+02 -0.121350D+02 -0.210920D+02 -0.606742D+00  0.140377D+01
      6  -0.775328D+01 -0.638719D+01 -0.769510D+01  0.328940D+00 -0.165610D+01
                16            17            18            19            20 
      1  -0.895800D+01 -0.240058D+02 -0.150618D+02  0.778731D+01  0.305880D+01
      2  -0.243759D-01  0.142168D+02  0.105753D+02 -0.496933D+01 -0.697179D+01
      3   0.898238D+01  0.978896D+01  0.448657D+01 -0.281798D+01  0.391299D+01
      4  -0.275953D+02 -0.676943D+01 -0.275834D+01  0.185788D+02 -0.271723D+00
      5  -0.178120D+02  0.130283D+01 -0.185020D+01  0.952825D+01  0.119183D+02
      6  -0.699903D+01 -0.703090D+00 -0.168896D+01  0.398656D+01 -0.698733D+00
                21            22            23            24            25 
      1   0.294888D+01  0.549852D+01 -0.242188D+01  0.123566D+02 -0.134234D+01
      2  -0.164020D+01 -0.596991D+01  0.279587D+01 -0.204027D+01 -0.491294D-01
      3  -0.130868D+01  0.471385D+00 -0.373988D+00 -0.103163D+02  0.139147D+01
      4   0.140018D+02  0.448170D+01  0.821806D+01  0.852783D+00  0.696262D+01
      5   0.552822D+01  0.113098D+02 -0.438724D+01  0.155967D+01  0.278807D+01
      6   0.427156D+01 -0.178574D+01  0.139926D+01 -0.324265D+01  0.277961D+01
                26            27            28            29            30 
      1   0.105435D+02  0.774567D+01 -0.119588D+02 -0.646165D-01  0.436626D+01
      2  -0.279753D+01  0.138914D+01  0.176371D+01  0.564562D-01 -0.438825D+01
      3  -0.774595D+01 -0.913481D+01  0.101951D+02  0.816032D-02  0.219841D-01
      4  -0.496084D+00  0.152276D+00 -0.462673D-01 -0.682886D+01  0.177476D+01
      5  -0.544227D+00 -0.443067D+01  0.222294D+01  0.906044D+00 -0.115861D+01
      6  -0.245297D+01 -0.601485D+01  0.895005D+00 -0.225095D+01  0.391865D-01
                31            32            33            34            35 
      1  -0.657443D-01  0.175929D+01  0.174471D+01  0.728418D+01  0.288873D+01
      2   0.752007D-01 -0.119350D+02 -0.176479D+01 -0.728743D+01 -0.290352D+01
      3  -0.945642D-02  0.101757D+02  0.200804D-01  0.325313D-02  0.147854D-01
      4  -0.687890D+01 -0.208961D-01 -0.439905D+01  0.297279D+01 -0.726050D+01
      5   0.849620D+00 -0.225662D+01 -0.479831D-01  0.537518D+01 -0.352338D-01
      6  -0.224790D+01 -0.897334D+00 -0.115857D+01 -0.432961D-01  0.533533D+01
                36            37            38            39            40 
      1  -0.512126D+00  0.415408D+01 -0.256222D+01 -0.936071D+00 -0.608713D+01
      2  -0.542464D+00 -0.473389D+01  0.300696D+01 -0.934181D+01  0.309247D+01
      3   0.105459D+01  0.579802D+00 -0.444738D+00  0.102779D+02  0.299466D+01
      4  -0.258893D-01  0.896262D+01  0.953855D+01 -0.771021D+01  0.514122D+01
      5   0.191381D-01 -0.155229D+01 -0.256669D+01 -0.112930D+01 -0.378025D+01
      6   0.516281D-01 -0.214528D+01 -0.129895D+02  0.338446D+01 -0.133131D+02
                41            42            43            44            45 
      1   0.785861D+01 -0.578048D+01  0.115902D+01 -0.384082D+01  0.193880D+01
      2  -0.413842D+01  0.724611D+01 -0.824866D+01  0.722992D+01  0.721509D+01
      3  -0.372019D+01 -0.146564D+01  0.708964D+01 -0.338910D+01 -0.915389D+01
      4   0.159707D+02 -0.115623D+02 -0.440781D+01 -0.470637D+01  0.177026D+01
      5  -0.495615D+01  0.611208D+01 -0.149853D+01  0.394121D+01  0.695294D+01
      6  -0.133550D+01  0.344158D+01  0.662134D+00  0.186678D+01  0.267713D+01
                46            47            48            49            50 
      1   0.173841D+02  0.177457D+01  0.122146D+02 -0.282154D+01  0.588128D+00
      2  -0.158498D+02  0.245124D+01 -0.830654D+01  0.360958D+01  0.104150D+01
      3  -0.153434D+01 -0.422581D+01 -0.390809D+01 -0.788041D+00 -0.162963D+01
      4  -0.123615D+02 -0.372484D+01 -0.998649D+01  0.635546D-02 -0.913271D+01
      5   0.146457D+02 -0.646770D+01  0.640041D+01 -0.555870D+01 -0.836480D+01
      6   0.541132D+00 -0.289959D+01 -0.175487D+01 -0.380150D+01 -0.444674D+01
                51            52            53            54            55 
      1  -0.900073D+01  0.451008D+01 -0.857903D+01  0.740354D+01 -0.288810D+02
      2  -0.614604D+00 -0.387859D+01  0.745297D+00  0.173014D+01  0.211054D+02
      3   0.961534D+01 -0.631495D+00  0.783373D+01 -0.913368D+01  0.777553D+01
      4  -0.554190D+01 -0.523048D+01 -0.521326D+01  0.140716D+01  0.687466D+01
      5   0.987989D+00  0.299174D+01  0.195428D+01 -0.580302D+01 -0.264532D+02
      6  -0.413425D+01 -0.134347D+01 -0.264522D+01  0.467946D+01  0.710386D+01
                56            57            58            59            60 
      1  -0.292749D+01 -0.224944D+02  0.565747D+01 -0.267696D+01  0.178915D+02
      2  -0.426936D+00  0.101768D+02 -0.472889D+01  0.234111D+01 -0.933959D+01
      3   0.335443D+01  0.123176D+02 -0.928578D+00  0.335844D+00 -0.855189D+01
      4  -0.130010D+01  0.179100D+02 -0.641940D+01 -0.530574D+01  0.617293D+01
      5   0.147298D+02 -0.126454D+02  0.155519D+02  0.924763D+01 -0.428317D+01
      6  -0.367734D+00  0.348285D+01 -0.941090D-01 -0.112631D+01 -0.109624D+01
                61            62            63            64            65 
      1  -0.275366D+02  0.185016D+02 -0.147515D+02 -0.586704D+01  0.115067D+02
      2   0.163756D+02 -0.113186D+02  0.102831D+02  0.306052D+01 -0.565903D+01
      3   0.111609D+02 -0.718300D+01  0.446839D+01  0.280652D+01 -0.584765D+01
      4   0.202389D+02  0.894931D+01 -0.385644D+01  0.156917D+02 -0.145530D+02
      5  -0.181070D+02 -0.582986D+01 -0.225494D+01  0.188854D+02 -0.157636D+02
      6   0.244707D+01 -0.400548D+00  0.116739D+01 -0.145171D+02  0.102586D+02
                66            67            68            69            70 
      1   0.154253D+02  0.428099D+01  0.472778D+00 -0.184037D+02  0.141718D+02
      2  -0.687135D+00 -0.270616D+01 -0.577356D+01  0.156941D+02 -0.120135D+01
      3  -0.147382D+02 -0.157483D+01  0.530078D+01  0.270959D+01 -0.129704D+02
      4  -0.212403D+02 -0.808838D+01  0.118638D+02  0.213838D+01 -0.260979D+02
      5  -0.644949D+01 -0.153781D+02 -0.253313D+01  0.965773D+01 -0.748452D+01
      6   0.189071D+01  0.946724D+01  0.651498D+01 -0.732694D+01  0.468152D+01
                71            72            73            74            75 
      1  -0.220585D+02  0.173721D+01  0.833099D+01 -0.421813D+01 -0.780253D+01
      2   0.191898D+02 -0.621067D+01 -0.924516D+01  0.254632D+01 -0.177264D+01
      3   0.286867D+01  0.447346D+01  0.914167D+00  0.167181D+01  0.957517D+01
      4   0.525689D+01  0.124679D+02 -0.100062D+02  0.994324D+01  0.102514D+02
      5   0.129607D+02  0.240351D+01 -0.541183D+01  0.571837D+01  0.146687D+01
      6  -0.110351D+02 -0.770521D+00  0.742072D+01 -0.998509D+01 -0.389422D+01
                76            77            78            79            80 
      1   0.121192D+01  0.146054D+02  0.895234D+01 -0.290397D+01  0.487258D+01
      2   0.549742D+00 -0.104870D+02 -0.129891D+02 -0.309352D+01 -0.994425D+01
      3  -0.176166D+01 -0.411834D+01  0.403678D+01  0.599749D+01  0.507168D+01
      4   0.701060D+01 -0.660427D+01 -0.443558D+01  0.626526D+01  0.256224D+00
      5   0.699148D+01 -0.180017D+01 -0.661548D+01 -0.159356D+00 -0.448129D+01
      6  -0.999659D+01 -0.570911D+01  0.783051D+00 -0.117518D+01  0.482834D+00
                81            82            83            84            85 
      1   0.313130D+01 -0.383523D+01 -0.112642D+01  0.702534D+01 -0.386423D+01
      2   0.600060D+01  0.669254D+01  0.156551D+01  0.126484D+01  0.774185D+01
      3  -0.913190D+01 -0.285730D+01 -0.439098D+00 -0.829018D+01 -0.387762D+01
      4  -0.283272D+01 -0.883864D+01  0.183887D+00  0.754341D+01 -0.155955D+01
      5   0.741971D+01  0.818699D+01  0.173051D+01 -0.355583D+01  0.110648D+01
      6  -0.826531D+00  0.794345D+01 -0.159192D+01  0.369303D+01 -0.503165D+00
                86            87            88            89            90 
      1  -0.195915D+02  0.105059D+02  0.401324D+01  0.508667D+01  0.285454D+01
      2   0.198928D+02 -0.167647D+02  0.338004D+01 -0.775225D+01  0.630301D+01
      3  -0.301322D+00  0.625882D+01 -0.739328D+01  0.266557D+01 -0.915755D+01
      4  -0.129987D+01  0.145572D+01  0.723136D+01  0.492421D+00  0.267436D+01
      5  -0.607009D+01  0.978226D+00 -0.210607D+01  0.623719D-01 -0.299242D+01
      6  -0.150296D+02  0.584756D+01  0.336762D+01  0.243496D+01  0.684160D+01
                91            92            93            94            95 
      1  -0.133793D+01 -0.108895D+01 -0.306834D+00  0.492078D+01  0.218061D+02
      2  -0.102039D+00  0.293146D+00 -0.470009D+01 -0.100013D+02 -0.284465D+02
      3   0.143997D+01  0.795802D+00  0.500693D+01  0.508056D+01  0.664038D+01
      4  -0.702223D+01 -0.280444D+01 -0.136606D+02 -0.163906D+01 -0.558056D+01
      5  -0.315937D+01 -0.310440D+01 -0.211669D+01 -0.263381D+01  0.192774D+01
      6  -0.141144D+02 -0.370624D+01 -0.720447D+01 -0.299064D+01  0.322910D+02
                96            97            98            99           100 
      1  -0.175592D+02 -0.166825D+01 -0.239991D+02  0.656590D+01 -0.320541D+01
      2   0.316513D+02 -0.231645D+01  0.366630D+02 -0.110602D+02 -0.702681D-02
      3  -0.140921D+02  0.398471D+01 -0.126639D+02  0.449426D+01  0.321244D+01
      4  -0.367043D+01 -0.163597D+02 -0.205309D+01 -0.972601D+01  0.829795D+01
      5   0.603716D+00 -0.250540D+01 -0.183335D+01 -0.542715D+00 -0.733122D+01
      6  -0.116794D+02 -0.101403D+02 -0.160073D+02  0.242407D+01  0.112549D+02
               101           102           103           104           105 
      1  -0.262959D+01 -0.111704D+02 -0.815354D+01  0.142967D+02  0.137803D+02
      2   0.433201D+01  0.992695D+01  0.141466D+02 -0.191782D+02 -0.287065D+02
      3  -0.170242D+01  0.124346D+01 -0.599310D+01  0.488148D+01  0.149262D+02
      4  -0.441823D+01  0.102742D+02 -0.741865D+01  0.147208D+02  0.119172D+02
      5  -0.641717D+00 -0.435898D+01 -0.126912D+01  0.107792D+02  0.130654D+01
      6   0.825302D+01  0.911978D+01  0.882537D+01 -0.291483D+02 -0.938064D+01
               106           107           108           109           110 
      1  -0.147925D+02  0.178980D+02  0.640055D+00 -0.937824D+01  0.309245D+01
      2   0.141534D+02 -0.311491D+02 -0.511376D+01  0.131091D+02 -0.260409D+01
      3   0.639074D+00  0.132511D+02  0.447370D+01 -0.373089D+01 -0.488368D+00
      4   0.105940D+02  0.163572D+02  0.127972D+02  0.367191D+01  0.405330D+01
      5  -0.632043D+01  0.437226D+01  0.944639D-01  0.920218D+01  0.370500D+01
      6   0.126852D+02 -0.121653D+02 -0.247666D+01 -0.371241D+01 -0.637981D+01
               111           112           113           114           115 
      1   0.124028D+02  0.613091D+01 -0.158920D+02 -0.649324D+01  0.842668D+01
      2  -0.600061D+01 -0.908889D+01  0.152944D+02  0.146991D+02 -0.194634D+01
      3  -0.640221D+01  0.295798D+01  0.597564D+00 -0.820586D+01 -0.648033D+01
      4  -0.359502D+01  0.472280D+01 -0.713424D+01 -0.656398D+01 -0.522129D+01
      5  -0.178727D+01  0.405342D+01 -0.896438D+01 -0.297758D+01 -0.935930D+00
      6  -0.573270D+01 -0.515910D+01  0.111207D+02  0.410402D+01 -0.423963D+01
               116           117           118           119           120 
      1  -0.240483D+01  0.439092D+01 -0.398042D+01 -0.722650D+01  0.180814D+01
      2   0.687303D+01  0.475611D+01  0.499642D+01  0.660760D+01 -0.303857D+01
      3  -0.446820D+01 -0.914703D+01 -0.101600D+01  0.618902D+00  0.123043D+01
      4  -0.417818D+01 -0.314654D+01 -0.248174D+01  0.404860D+01  0.872487D-01
      5  -0.919341D+00 -0.113195D+01  0.529067D+00  0.139274D+01  0.743218D+00
      6   0.131561D+01 -0.739635D+01 -0.195754D+01 -0.223047D+01  0.130386D+01
               121           122           123           124           125 
      1  -0.571796D+01 -0.154272D+02  0.669209D+01  0.365832D+01  0.112759D+02
      2   0.135219D+01  0.287718D+02 -0.991670D+01 -0.162706D+01 -0.153267D+02
      3   0.436577D+01 -0.133446D+02  0.322461D+01 -0.203125D+01  0.405083D+01
      4   0.872993D+01 -0.208664D+02  0.543654D+01 -0.238579D+01  0.107120D+02
      5   0.134603D+00  0.668390D+01 -0.647593D+01  0.315396D+01 -0.914748D+01
      6  -0.661996D+00 -0.106930D+02  0.904904D+01 -0.137591D+01  0.125827D+02
               126           127           128           129           130 
      1  -0.644629D+01  0.359847D+02 -0.144872D+02 -0.115155D+02 -0.755963D+01
      2   0.773975D+01 -0.143616D+02  0.148974D+01  0.467085D+01 -0.369744D+01
      3  -0.129346D+01 -0.216231D+02  0.129975D+02  0.684468D+01  0.112571D+02
      4  -0.765429D+01 -0.352577D+02  0.244423D+02  0.147560D+02  0.234661D+02
      5   0.934255D+01 -0.212678D+02  0.120040D+02  0.145314D+02  0.960823D+01
      6  -0.114970D+02  0.111871D+02 -0.720552D+01 -0.732637D+01 -0.799265D+01
               131           132           133           134           135 
      1   0.477024D+01  0.287435D+01 -0.145094D+02  0.695322D+01  0.687916D+01
      2   0.716066D+01  0.114745D+01  0.667463D+01 -0.171386D+01 -0.414904D+01
      3  -0.119309D+02 -0.402180D+01  0.783476D+01 -0.523936D+01 -0.273012D+01
      4  -0.246633D+02 -0.108774D+02  0.212532D+02 -0.168304D+02 -0.164360D+02
      5  -0.955823D+01 -0.768288D+01  0.203604D+02 -0.139859D+02 -0.187228D+02
      6   0.777531D+01  0.793453D+01 -0.117443D+02  0.115889D+02  0.121374D+02
               136           137           138           139           140 
      1   0.230220D+02  0.900721D+01 -0.454017D+01  0.155700D+02  0.768161D+01
      2  -0.133225D+02 -0.473357D+01  0.312200D+01 -0.755744D+01 -0.304578D+01
      3  -0.969944D+01 -0.427364D+01  0.141817D+01 -0.801254D+01 -0.463582D+01
      4   0.799610D+01  0.709822D+01 -0.416029D+01  0.104348D+02  0.183918D+02
      5  -0.550634D+01 -0.428311D+01  0.752041D+01 -0.626139D+01 -0.854532D+01
      6  -0.142666D+01 -0.789346D+00  0.239283D+00 -0.994138D+00 -0.235445D+01
               141           142           143           144           145 
      1  -0.551211D+01 -0.114800D+02 -0.664495D+01  0.836293D+01  0.681524D+02
      2   0.237290D+01  0.718209D+01  0.523681D+01 -0.706839D+01 -0.392936D+02
      3   0.313922D+01  0.429787D+01  0.140815D+01 -0.129454D+01 -0.288588D+02
      4  -0.752809D+01 -0.750213D+01 -0.111883D+02  0.702213D+01 -0.172955D+02
      5   0.801061D+01  0.131654D+02  0.854955D+01 -0.147289D+02  0.305601D+02
      6   0.227110D+01  0.773991D+00  0.255846D+01 -0.145893D+01 -0.656825D+01
               146           147           148           149           150 
      1  -0.696402D+01  0.219056D+02 -0.876151D+01  0.833031D+01 -0.379023D+01
      2   0.288683D+01 -0.142313D+02  0.294198D+01 -0.364160D+01  0.176153D+01
      3   0.407719D+01 -0.767425D+01  0.581953D+01 -0.468871D+01  0.202869D+01
      4   0.102419D+02 -0.646671D+01  0.163017D+02 -0.719632D+01  0.516064D+01
      5  -0.488100D+01  0.187159D+02 -0.600916D+01  0.462362D+01 -0.318129D+01
      6   0.184864D+01 -0.354137D+01  0.410374D+01 -0.197103D+01  0.375574D+01
               151           152           153           154           155 
      1   0.314372D+02 -0.413551D+01  0.177509D+02  0.585312D+01 -0.410557D+01
      2  -0.222059D+02  0.226334D+01 -0.150261D+02  0.222685D+01  0.125450D+02
      3  -0.923130D+01  0.187216D+01 -0.272482D+01 -0.807997D+01 -0.843947D+01
      4  -0.107589D+02  0.449424D+01 -0.565076D+01  0.245514D+02  0.125307D+02
      5   0.288002D+02 -0.336989D+01  0.218065D+02  0.555680D+01  0.187477D+01
      6  -0.561706D+01  0.314527D+01 -0.475026D+01  0.991509D+01  0.444425D+01
               156           157           158           159           160 
      1   0.179082D+01 -0.361587D+01 -0.560474D+01 -0.997659D+00  0.665894D+00
      2   0.161135D+01  0.831809D+01  0.118403D+02  0.155424D+01  0.181442D+01
      3  -0.340217D+01 -0.470222D+01 -0.623557D+01 -0.556585D+00 -0.248031D+01
      4   0.965943D+01  0.727926D+01  0.100627D+02  0.310381D+01  0.151703D+02
      5   0.474059D+01  0.115112D+01  0.180376D+01  0.100431D+01  0.567059D+01
      6   0.878079D+01  0.257203D+01  0.268442D+01  0.507061D+01  0.106110D+02
               161           162           163           164           165 
      1  -0.237428D+01 -0.244425D+01 -0.431419D+01  0.481797D+00  0.980626D-01
      2   0.616566D+01  0.372649D+01  0.816587D+01  0.537531D+00 -0.168981D+00
      3  -0.379138D+01 -0.128224D+01 -0.385168D+01 -0.101933D+01  0.709180D-01
      4   0.748746D+01  0.998149D+01  0.235471D+01  0.138164D+02 -0.388198D+01
      5   0.283017D+01  0.530298D+01 -0.218966D+00 -0.278426D+01  0.308677D+01
      6   0.100780D+02  0.138765D+02 -0.373571D+01 -0.636653D+00  0.109728D+01
               166           167           168           169           170 
      1  -0.252099D+01 -0.427760D+02  0.155212D+02  0.234890D+01  0.241792D+02
      2   0.527719D+01  0.724643D+02 -0.234550D+02 -0.297571D+01 -0.335780D+02
      3  -0.275620D+01 -0.296883D+02  0.793382D+01  0.626813D+00  0.939882D+01
      4   0.906350D+01  0.692814D+01 -0.268549D+01 -0.331935D+01 -0.361757D+01
      5  -0.905530D+00 -0.817770D+00  0.727169D+00  0.264244D+01  0.153107D+01
      6  -0.230850D+01 -0.324298D+02  0.193739D+02  0.378292D+01  0.292877D+02
               171           172           173           174           175 
      1  -0.156137D+02  0.175224D+02  0.136864D+01  0.649289D+01  0.375087D+01
      2   0.183433D+02 -0.634262D+01 -0.850100D+01 -0.306749D+01 -0.714464D+01
      3  -0.272961D+01 -0.111797D+02  0.713235D+01 -0.342540D+01  0.339377D+01
      4   0.347103D+01 -0.259491D+02  0.116058D+02 -0.892340D+01  0.585872D+01
      5  -0.116242D+01  0.869137D+01 -0.128047D+01  0.716609D+01 -0.113046D+00
      6  -0.222628D+02 -0.925636D+01  0.193489D+01 -0.822666D+01  0.327548D+00
               176           177           178           179           180 
      1   0.682749D+00  0.997935D+00  0.840162D+01  0.298831D+00  0.287162D+01
      2   0.241845D+01 -0.662325D+00 -0.504513D+01 -0.333275D+01 -0.158953D+01
      3  -0.310120D+01 -0.335610D+00 -0.335648D+01  0.303392D+01 -0.128209D+01
      4  -0.752312D+01  0.110257D+01 -0.152240D+02  0.490579D+01 -0.101994D+02
      5   0.163734D+01 -0.445975D+00  0.926198D+01 -0.303170D+01  0.865769D+01
      6  -0.105135D+01  0.262844D+01 -0.108216D+02  0.647747D+01 -0.120751D+02
               181           182           183           184           185 
      1  -0.187185D+01  0.630690D+00  0.120764D+01  0.546290D+01 -0.324123D+02
      2   0.832806D+01 -0.777007D+01 -0.329527D+01 -0.143383D+02  0.595316D+02
      3  -0.645621D+01  0.713938D+01  0.208762D+01  0.887538D+01 -0.271193D+02
      4  -0.123869D+02  0.178346D+02  0.636156D+01  0.155990D+02 -0.271242D+02
      5  -0.273163D+01  0.451217D+01  0.458508D+01  0.311869D+01 -0.746303D+01
      6   0.580730D+01 -0.657844D+01 -0.498738D+01 -0.866369D+01  0.288929D+02
               186           187           188           189           190 
      1  -0.117579D+02  0.510686D+01 -0.179475D+02 -0.117017D+02  0.315832D+02
      2   0.194158D+02 -0.810433D+01  0.268835D+02  0.144349D+02 -0.191984D+02
      3  -0.765785D+01  0.299747D+01 -0.893600D+01 -0.273324D+01 -0.123848D+02
      4  -0.106540D+02  0.847152D+01 -0.157122D+02 -0.113649D+02 -0.524102D+00
      5  -0.461121D+01  0.566843D+01 -0.773451D+01 -0.677775D+01 -0.852408D+01
      6   0.178568D+02 -0.998517D+01  0.262387D+02  0.212143D+02 -0.254368D+00
               191           192           193           194           195 
      1  -0.747062D+01 -0.811575D+01 -0.150882D+02  0.897369D+01  0.686898D+01
      2   0.524938D+01  0.593515D+01  0.911897D+01 -0.704197D+01 -0.419623D+01
      3   0.222124D+01  0.218060D+01  0.596919D+01 -0.193172D+01 -0.267275D+01
      4   0.618094D+01  0.284569D+01  0.675453D+01 -0.108775D+02 -0.404124D+01
      5   0.442791D+01  0.920219D+01  0.640044D+01 -0.606038D+01 -0.619879D+01
      6   0.227336D+00  0.157644D+01  0.529853D+00  0.336210D+00  0.586516D+00
               196           197           198           199           200 
      1  -0.164180D+02  0.744060D+01  0.108136D+02  0.492962D+02  0.131705D+02
      2   0.118932D+02 -0.718572D+01 -0.952307D+01 -0.244183D+02 -0.379737D+01
      3   0.452482D+01 -0.254878D+00 -0.129052D+01 -0.248778D+02 -0.937309D+01
      4   0.358990D+01 -0.613796D+01 -0.233929D+01  0.323900D+02  0.174184D+02
      5   0.147736D+02 -0.535945D+01 -0.146568D+02  0.241318D+02  0.953710D+01
      6   0.242421D+01  0.958248D+00 -0.233922D+01  0.113015D+02  0.518410D+01
               201           202           203           204           205 
      1   0.156368D+02  0.118574D+02  0.748180D+01  0.502110D+01  0.215672D+02
      2  -0.872564D+01 -0.752324D+00  0.118818D+01 -0.111796D+01 -0.131118D+02
      3  -0.691112D+01 -0.111050D+02 -0.866998D+01 -0.390314D+01 -0.845538D+01
      4   0.125391D+02  0.231364D+02  0.182378D+02  0.933748D+01  0.204120D+02
      5   0.160960D+02  0.100395D+02  0.771915D+01  0.640857D+01  0.249354D+02
      6   0.677752D+01  0.764425D+01  0.587284D+01  0.636325D+01  0.113283D+02
               206           207           208           209           210 
      1   0.722874D+01  0.128609D+02 -0.707644D+01  0.846920D+01  0.359265D+01
      2  -0.307255D+01 -0.101337D+02  0.765461D+01 -0.112046D+02 -0.559488D+01
      3  -0.415619D+01 -0.272719D+01 -0.578171D+00  0.273541D+01  0.200224D+01
      4   0.110295D+02  0.129638D+02 -0.356702D+01  0.404617D+01  0.918141D+00
      5   0.908494D+01  0.198715D+02  0.443260D+00 -0.164842D+01  0.117558D-01
      6   0.699986D+01  0.101203D+02  0.345960D+01 -0.475118D+01 -0.367268D+01
               211           212           213           214           215 
      1   0.509415D+01 -0.203467D+02 -0.764154D+01  0.583964D+01 -0.138010D+02
      2  -0.409157D+01  0.340968D+02  0.104412D+02 -0.489855D+01  0.182295D+02
      3  -0.100258D+01 -0.137501D+02 -0.279967D+01 -0.941088D+00 -0.442853D+01
      4   0.644545D+01  0.108239D+02  0.926409D+00  0.255582D+01  0.357336D+01
      5  -0.832582D+00  0.333194D+01  0.410728D+01  0.118511D+01  0.617198D+01
      6  -0.291841D+01  0.106237D+02  0.979292D+01 -0.160250D+01  0.145657D+02
               216           217           218           219           220 
      1  -0.929533D+01  0.146304D+02  0.717315D+01 -0.377019D+01  0.150583D+01
      2   0.105907D+02  0.402759D+00  0.664127D+01 -0.182486D+01  0.105637D+02
      3  -0.129542D+01 -0.150332D+02 -0.138144D+02  0.559505D+01 -0.120695D+02
      4   0.320227D+01  0.301959D+02  0.276597D+02 -0.137642D+02  0.238236D+02
      5   0.612299D+01 -0.128659D+02 -0.112501D+02  0.104203D+02 -0.873357D+01
      6   0.135042D+02 -0.108611D+02 -0.102582D+02  0.798100D+01 -0.104090D+02
               221           222           223           224           225 
      1  -0.641992D+01  0.167943D+01 -0.309146D+01  0.113025D+01 -0.191653D+01
      2   0.249297D+02 -0.730727D+01 -0.315543D+01 -0.818813D+01  0.464562D+01
      3  -0.185098D+02  0.562783D+01  0.624689D+01  0.705787D+01 -0.272909D+01
      4   0.337756D+02 -0.138502D+02 -0.186729D+02 -0.222617D+02  0.170250D+02
      5  -0.121323D+02  0.833816D+01  0.134661D+02  0.144839D+02 -0.150251D+02
      6  -0.153152D+02  0.120526D+02  0.122345D+02  0.184795D+02 -0.164971D+02
               226           227           228           229           230 
      1  -0.597187D+01  0.976605D+01 -0.724679D+01  0.640576D+01 -0.141397D+02
      2   0.510765D+01 -0.933369D+01  0.450665D+01 -0.526283D+01  0.180768D+02
      3   0.864227D+00 -0.432351D+00  0.274015D+01 -0.114293D+01 -0.393709D+01
      4  -0.101315D+02  0.287835D+01 -0.244598D+01  0.733645D+01 -0.458558D+01
      5   0.336130D+01 -0.229491D+01  0.154376D+01 -0.161786D+01  0.213826D+01
      6  -0.468132D+01  0.121431D+02 -0.880090D+01  0.562150D+01 -0.135969D+02
               231           232           233           234           235 
      1   0.818238D+01 -0.278193D+01  0.577090D+01 -0.749943D+01  0.161771D+01
      2  -0.681418D+01  0.149082D+01 -0.242591D+01  0.143324D+01 -0.508577D+01
      3  -0.136820D+01  0.129111D+01 -0.334499D+01  0.606620D+01  0.346806D+01
      4   0.345300D+01 -0.136991D+01  0.394590D+01 -0.326337D+01  0.279951D+01
      5  -0.463711D+00  0.206023D+01 -0.107246D+01  0.308744D+00 -0.634781D+01
      6   0.978741D+01 -0.441183D+01  0.754926D+01 -0.906703D+01 -0.220210D+01
               236           237           238           239           240 
      1   0.274824D+00 -0.591898D+00 -0.323121D+00 -0.159392D+00 -0.134272D+01
      2   0.722785D+00  0.713000D+01  0.154564D+01 -0.373705D+01 -0.623711D+01
      3  -0.997609D+00 -0.653811D+01 -0.122252D+01  0.389644D+01  0.757984D+01
      4   0.258965D+01 -0.155018D+01 -0.219136D+01 -0.594854D+01  0.817734D+00
      5  -0.392629D+00  0.942539D+01  0.230022D+01 -0.131581D+00 -0.469257D+01
      6  -0.206414D+00  0.327450D+01  0.192262D+01  0.257587D+01 -0.415071D+00
               241           242           243           244           245 
      1   0.504692D+00  0.232506D+01 -0.112469D+02  0.106210D+02 -0.383117D+01
      2   0.525319D+01 -0.260053D+01 -0.183524D+02 -0.662865D+01  0.364329D+01
      3  -0.575788D+01  0.275471D+00  0.295993D+02 -0.399231D+01  0.187883D+00
      4  -0.339301D+01 -0.308488D+01  0.317274D+00 -0.784852D+01  0.827565D+01
      5   0.718357D+01  0.813438D+00 -0.162795D+02  0.781968D+01 -0.613768D+01
      6   0.277028D+01  0.476856D+01 -0.136621D+02 -0.341429D+01  0.274224D+01
               246           247           248           249           250 
      1   0.321901D+01 -0.966029D+01  0.198906D+01 -0.340218D+01 -0.286652D+00
      2  -0.382059D+01  0.876335D+01 -0.291878D+01  0.640913D+01 -0.259717D+01
      3   0.601574D+00  0.896942D+00  0.929714D+00 -0.300695D+01  0.288382D+01
      4  -0.519978D+01  0.632287D+01 -0.158354D+02  0.670577D+01 -0.469304D+01
      5   0.686155D+01 -0.122515D+02  0.834254D+01 -0.102510D+02  0.576313D+01
      6  -0.191731D+01  0.513016D+01 -0.673061D+01  0.447906D+01 -0.208293D+01
               251           252           253           254           255 
      1  -0.419242D+00 -0.861363D+00 -0.569066D+01  0.987569D+00  0.375234D+01
      2   0.254796D+01 -0.521046D+01  0.239249D+01  0.185047D+00  0.183133D+01
      3  -0.212872D+01  0.607182D+01  0.329817D+01 -0.117262D+01 -0.558367D+01
      4   0.363489D+01 -0.507781D+01 -0.368996D+01 -0.223775D+00 -0.101089D+01
      5  -0.542194D+01  0.865986D+01 -0.256637D+01 -0.715032D+00 -0.837400D-01
      6   0.384310D+01 -0.269843D+01  0.783411D+00 -0.404586D+00 -0.207550D+01
               256           257           258           259           260 
      1   0.269766D+01 -0.402252D+01 -0.704178D+01  0.283651D+01 -0.409164D+01
      2  -0.174673D+01 -0.490880D-01 -0.127153D+01 -0.410774D+01 -0.155126D+01
      3  -0.950927D+00  0.407161D+01  0.831332D+01  0.127123D+01  0.564290D+01
      4   0.426962D+01  0.361722D+01  0.370571D+01  0.243198D+01  0.360431D+01
      5   0.205546D+01  0.392284D+01  0.589893D+01  0.586057D+01  0.315374D+01
      6   0.163166D+01  0.556898D+01  0.912273D+01  0.119356D+01  0.611564D+01
               261           262           263           264           265 
      1  -0.177082D+02  0.201148D+02  0.353269D+01 -0.708501D+01  0.188688D+01
      2  -0.119186D+02 -0.180439D+02 -0.635213D+01  0.963634D+01 -0.399642D+01
      3   0.296269D+02 -0.207091D+01  0.281944D+01 -0.255133D+01  0.210954D+01
      4   0.210277D+01 -0.121975D+02  0.583544D+01  0.604672D+01  0.391573D+00
      5   0.174915D+02 -0.185667D+02  0.172823D+01  0.117261D+02 -0.425794D+01
      6   0.121104D+02  0.592437D+01 -0.234552D+01 -0.541424D+01  0.316762D+00
               266           267           268           269           270 
      1   0.502231D+01 -0.165486D+00 -0.409540D+01  0.506799D+00  0.202104D+01
      2  -0.400359D+01  0.185387D+01  0.763075D+01 -0.106004D+01 -0.807833D+01
      3  -0.101872D+01 -0.168839D+01 -0.353535D+01  0.553237D+00  0.605729D+01
      4   0.865139D+00  0.964893D+00  0.192808D+01  0.221472D+00 -0.222381D+01
      5  -0.753915D-03  0.291438D+01  0.853930D+01  0.672391D+00 -0.799860D+01
      6  -0.157515D+01 -0.401371D+00 -0.266504D+01  0.105723D+01  0.424787D+01
               271           272           273           274           275 
      1  -0.300982D+00 -0.617570D+01 -0.821519D+01 -0.157062D+01 -0.323061D+01
      2  -0.443853D+01  0.569562D+01 -0.159812D+01  0.131051D+01  0.611166D+00
      3   0.473951D+01  0.480080D+00  0.981331D+01  0.260106D+00  0.261945D+01
      4   0.428832D+01 -0.189185D+01  0.275163D+01 -0.117622D+00  0.173620D+01
      5   0.180443D+01 -0.832299D+00  0.264857D+01 -0.334308D+00  0.174978D+01
      6   0.184608D+01  0.568574D+01  0.860087D+01  0.229199D+01  0.358385D+01
               276           277           278           279           280 
      1  -0.282403D+01 -0.235866D+01 -0.673248D+01 -0.168858D+02  0.130512D+02
      2   0.929626D+00 -0.744701D+00  0.186383D+01 -0.127450D+02 -0.122621D+02
      3   0.189441D+01  0.310336D+01  0.486864D+01  0.296308D+02 -0.789181D+00
      4   0.136715D+01  0.335548D+01 -0.153767D+01  0.290395D+01  0.184208D+02
      5   0.629622D+00  0.382268D+01 -0.843615D+00 -0.372611D+01 -0.161411D+02
      6   0.637812D+01  0.111552D+01  0.815699D+01  0.209598D+02 -0.935019D+01
               281           282           283           284           285 
      1  -0.360393D+01 -0.282677D+01  0.463648D+00  0.344816D+01 -0.118878D+01
      2   0.636867D+01  0.571490D+01  0.158854D+01 -0.114950D+01  0.204176D+00
      3  -0.276474D+01 -0.288813D+01 -0.205219D+01 -0.229866D+01  0.984607D+00
      4   0.710896D+01 -0.940614D+01  0.334342D+01  0.304738D+01 -0.109403D+01
      5  -0.520967D+01  0.103341D+02 -0.926280D-01 -0.717081D+00 -0.897249D-01
      6  -0.556647D+01  0.822656D+01 -0.147209D+01  0.416607D+00  0.999624D+00
               286           287           288           289           290 
      1  -0.218630D+01 -0.110253D+01  0.280809D+00 -0.621256D+00  0.671123D+01
      2   0.546167D+01  0.253840D+01 -0.632959D+01 -0.417271D+01 -0.679643D+01
      3  -0.327537D+01 -0.143587D+01  0.604878D+01  0.479396D+01  0.852015D-01
      4  -0.435604D+01 -0.134464D+01  0.442137D+01 -0.317083D+01  0.107456D+01
      5   0.756728D+01  0.104070D+01 -0.665855D+01  0.245184D+01 -0.682178D+00
      6   0.437682D+01  0.203374D+01 -0.614213D+01 -0.340652D+01  0.560636D+01
               291           292           293           294           295 
      1  -0.671718D+01  0.182596D+01 -0.154685D-02  0.190866D+00 -0.235477D+01
      2  -0.326437D+01 -0.214077D+01 -0.257000D+01 -0.878940D+00 -0.188376D+01
      3   0.998155D+01  0.314804D+00  0.257154D+01  0.688074D+00  0.423852D+01
      4  -0.443399D+01  0.397606D+00 -0.200908D+01  0.101200D+01 -0.341104D+01
      5   0.515400D+01 -0.300515D+00  0.234933D+01 -0.947989D+00  0.416274D+01
      6  -0.890607D+01  0.220041D+01 -0.930040D+00  0.386264D+01 -0.216801D+01
               296           297           298           299           300 
      1   0.652942D+01 -0.151832D+02  0.374418D+01  0.188688D+01  0.335885D+00
      2  -0.261736D+01 -0.144387D+02 -0.339966D+00 -0.564662D+00 -0.154461D+00
      3  -0.391206D+01  0.296218D+02 -0.340422D+01 -0.132222D+01 -0.181425D+00
      4  -0.103336D+00 -0.355162D+01  0.663504D+01  0.684746D+01  0.395644D+01
      5  -0.215765D+00  0.172294D+01  0.279291D+01  0.430727D+01  0.371725D+01
      6   0.779764D+01 -0.211938D+02  0.248440D+01  0.260400D+01  0.170978D+01
               301           302           303           304           305 
      1   0.793670D+01 -0.423483D+01 -0.460318D+00 -0.225492D+01 -0.219838D+01
      2  -0.591570D+01  0.387220D+01 -0.261551D+01  0.592860D-02 -0.603473D+00
      3  -0.202100D+01  0.362628D+00  0.307582D+01  0.224899D+01  0.280185D+01
      4   0.783369D+01  0.194141D+02  0.957061D+01  0.351650D+01  0.495949D+01
      5   0.961077D+01  0.102534D+02  0.100573D+02  0.379638D+01  0.541604D+01
      6   0.645358D+01  0.114252D+02  0.763775D+01  0.207346D+01  0.582294D+01
               306           307           308           309           310 
      1  -0.364817D+01 -0.534417D+01 -0.171134D+01  0.177933D+01 -0.539014D+01
      2  -0.243696D+01  0.252376D+01  0.865808D+00  0.148619D+01  0.476623D+01
      3   0.608513D+01  0.282041D+01  0.845528D+00 -0.326552D+01  0.623910D+00
      4   0.549497D+01  0.330387D+00  0.778169D+00  0.118198D+00  0.379287D+01
      5   0.770082D+01 -0.140767D+01 -0.948609D+00  0.143989D+01 -0.414104D+01
      6   0.481591D+01 -0.181378D+01  0.468466D+00  0.674067D-01  0.173435D+01
               311           312           313           314           315 
      1  -0.362801D+01  0.549636D+01  0.292830D+01  0.300368D+01 -0.163033D+02
      2  -0.916129D+00  0.396905D+01 -0.558398D+01  0.214006D+01 -0.133038D+02
      3   0.454414D+01 -0.946541D+01  0.265568D+01 -0.514374D+01  0.296071D+02
      4  -0.323409D+01  0.483532D+01 -0.137694D+01  0.353858D+01 -0.325593D+01
      5   0.433067D+01 -0.791509D+01  0.693923D+01 -0.293672D+01  0.199753D+02
      6  -0.400699D+01  0.759902D+01 -0.967268D+00  0.503782D+01 -0.728949D+01
               316           317           318           319           320 
      1  -0.578002D+01 -0.771749D+01 -0.517218D+01 -0.701857D+01 -0.187545D+02
      2   0.560891D+01  0.620539D+01  0.286746D+01  0.479783D+01  0.219740D+02
      3   0.171116D+00  0.151211D+01  0.230473D+01  0.222074D+01 -0.321952D+01
      4   0.514141D+01  0.209800D+00 -0.558013D+00  0.589799D+01 -0.294155D+01
      5   0.203309D+01  0.362632D-01 -0.185975D+00  0.102584D+01 -0.134477D+01
      6   0.145707D+01  0.911234D+01  0.618141D+01  0.263133D+01  0.176338D+02
               321           322           323           324           325 
      1  -0.105852D+02 -0.124503D+01 -0.775861D+01 -0.853605D+01  0.226482D+01
      2   0.855672D+01  0.844917D+00  0.419223D+01  0.245578D+01 -0.522207D+01
      3   0.202849D+01  0.400109D+00  0.356638D+01  0.608027D+01  0.295725D+01
      4  -0.851359D+00 -0.217535D+00  0.142216D+01  0.647746D+00 -0.568776D+00
      5  -0.216543D+01  0.107433D+01 -0.631789D+00 -0.200192D+01 -0.568841D+01
      6   0.115542D+02  0.271096D+01  0.855271D+01  0.886566D+01  0.309656D-01
               326           327           328           329           330 
      1  -0.105786D+00 -0.115156D+01  0.274969D+01 -0.300826D+01  0.997661D+00
      2  -0.649372D+00  0.555643D+01 -0.372862D+01 -0.140462D+01  0.800065D+01
      3   0.755159D+00 -0.440487D+01  0.978932D+00  0.441289D+01 -0.899831D+01
      4   0.624688D+00 -0.408472D+00 -0.319309D+01  0.585029D+01 -0.607106D+00
      5  -0.119949D+01  0.847406D+01 -0.435156D+01 -0.496849D+00  0.703126D+01
      6   0.575353D+00 -0.948833D+00  0.195068D+01 -0.204921D+01  0.568285D+00
               331           332           333 
      1  -0.693159D+00 -0.684768D+00 -0.115385D+02
      2   0.621196D+01  0.241617D+01 -0.180722D+02
      3  -0.551880D+01 -0.173140D+01  0.296107D+02
      4   0.271940D+01 -0.331176D+01  0.146658D+01
      5   0.793391D+01  0.148454D-01 -0.192374D+02
      6  -0.195151D+01  0.404338D+01  0.906442D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.157039D-03      0.399154D-03      0.133143D-02
   y          0.284774D-03      0.723822D-03      0.241441D-02
   z         -0.733540D-04     -0.186447D-03     -0.621921D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.150650D+03      0.223241D+02      0.248389D+02
   yx        -0.245137D-02     -0.363255D-03     -0.404176D-03
   yy         0.150603D+03      0.223171D+02      0.248311D+02
   zx         0.166888D-03      0.247302D-04      0.275160D-04
   zy         0.306928D-02      0.454821D-03      0.506056D-03
   zz         0.117003D+03      0.173381D+02      0.192912D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146527D+03      0.217131D+02      0.241591D+02
   aniso      0.363406D+02      0.538512D+01      0.599176D+01
   xx         0.158668D+03      0.235121D+02      0.261608D+02
   yx        -0.344078D-02     -0.509870D-03     -0.567307D-03
   yy         0.158614D+03      0.235042D+02      0.261520D+02
   zx        -0.515698D-04     -0.764186D-05     -0.850271D-05
   zy         0.377242D-02      0.559016D-03      0.621989D-03
   zz         0.122300D+03      0.181231D+02      0.201646D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.18798152         -0.00184275         -5.51146243
     6         -3.72640228         -0.19923533         -4.22563861
     7         -3.52290181          0.97941785         -1.64512882
    45          0.00040412          0.00028466         -0.00035158
     7          0.78649380         -1.08984591         -3.77735185
     7          3.70039698         -0.79903629          1.32048079
     6          5.13301939          1.63404133          1.66271549
     6          4.48954954          3.37305603         -0.50471234
     7          1.65866978          3.58767711         -0.67680213
     7         -1.14831049          0.90113696          3.73324954
     6         -1.68879245         -1.49585121          5.16549533
     6         -3.02196561         -3.31186299          3.41598836
     7         -1.47368787         -3.57909706          1.04501489
     1          5.18220702          2.62486591         -2.29564746
     1          5.33815209          5.23337163         -0.24746241
     1          4.57622572          2.45310707          3.47003126
     1          7.15942615          1.26976940          1.75233530
     1          0.10717198         -2.26770413          5.81811457
     1         -2.82767459         -1.09528283          6.83569427
     1         -4.88466663         -2.60791404          2.88487667
     1         -3.29210255         -5.14884561          4.31018309
     1         -4.29222612         -2.16622872         -3.98522884
     1         -5.19725764          0.73208870         -5.32847890
     1         -0.69154590          1.96204175         -5.89037040
     1         -1.18590047         -0.99472601         -7.31735772
     1          2.52699870         -0.57449175         -4.42282341
     1          0.76120691         -3.01075989         -3.94159914
     1         -5.06716645          0.47209746         -0.61098411
     1         -3.67271322          2.89307837         -1.82699598
     1         -2.55138757         -4.43507703         -0.30312001
     1         -0.04149736         -4.82583242          1.37987212
     1          0.11729899          1.94945706          4.73863608
     1         -2.74840985          1.97650095          3.70375727
     1          3.77284177         -1.79554131          2.96768836
     1          4.64633062         -1.89861806          0.05008711
     1          1.20129795          4.38386451         -2.37043365
     1          1.05598405          4.86633085          0.63452049

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.333374D-03      0.847352D-03      0.282646D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.143180D+03      0.212170D+02      0.236071D+02
   yx         0.135343D+02      0.200558D+01      0.223151D+01
   yy         0.126093D+03      0.186851D+02      0.207900D+02
   zx         0.350097D+01      0.518790D+00      0.577232D+00
   zy        -0.631037D+01     -0.935100D+00     -0.104044D+01
   zz         0.148984D+03      0.220771D+02      0.245641D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146527D+03      0.217131D+02      0.241591D+02
   aniso      0.363406D+02      0.538512D+01      0.599176D+01
   xx         0.150593D+03      0.223155D+02      0.248294D+02
   yx         0.146285D+02      0.216773D+01      0.241192D+01
   yy         0.132126D+03      0.195790D+02      0.217846D+02
   zx         0.378437D+01      0.560785D+00      0.623958D+00
   zy        -0.681994D+01     -0.101061D+01     -0.112446D+01
   zz         0.156864D+03      0.232448D+02      0.258634D+02

 ----------------------------------------------------------------------
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 CONFIDENCE IS WHAT YOU FEEL BEFORE YOU FULLY
 COMPREHEND THE SITUATION.
 Job cpu time:       1 days 12 hours 28 minutes 13.0 seconds.
 Elapsed time:       0 days  2 hours 16 minutes 55.9 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 21:39:28 2021.
